SCHEMBL702034

SCHEMBL702034

Cc1ccnc(CC#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.45
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NOS2 P35228 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
MAPT P10636 2/20 0.38
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SYK P43405 2/20 0.36
AURKB Q96GD4 2/20 0.36
INCENP Q9NQS7 2/20 0.36
PLAU P00749 1/20 0.35
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3676475 0.79 ENPP2 (0.40) KMT2AMEN1NOS2KDM4ENOS3
SCHEMBL30932457 0.76 UHRF1 (0.54) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL29705740 0.76 CSNK2A1 (0.41) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14485073 0.76 MEN1 (0.38) KMT2AMEN1MAPT
SCHEMBL6611747 0.76 CSNK2A1 (0.41) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL1625740 0.76 MEN1 (0.38) KMT2AMEN1NOS2NOS3NOS1
SCHEMBL20840011 0.76 MAPT (0.38) CCR1KMT2AMEN1KDM4EMAPT
SCHEMBL6639989 0.76 SYK (0.41) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL7767363 0.76 NOS2 (0.57) CCR1CCR5CCR8NOS2KDM4E
SCHEMBL16207758 0.76 KIF11 (0.36) KMT2AMEN1MAPTLMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2022-10-13 US disclosed
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2022-03-08 US disclosed
EP-3808739-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2021-04-21 EP disclosed
EP-3309152-B1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE VERTEX PHARMA (US) 2020-09-09 EP disclosed
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED (US) 2020-07-16 US disclosed
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof FIRMENICH INCORPORATED (US) 2020-02-11 US disclosed
EP-3431464-A2 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF Senomyx Inc. (US) 2019-01-23 EP disclosed
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF FIRMENICH INCORPORATED 2018-12-20 US disclosed
US-10060909-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof SENOMYX, INC. (US) 2018-08-28 US disclosed
EP-3309152-A1 ISOINDOLINONE INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Vertex Pharmaceuticals Incorporated (US) 2018-04-18 EP disclosed
US-5677329-A ANTAGONIST TO EPIDERMAL GROWTH FACTOR RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1997-10-14 US disclosed
US-5597837-A Method and composition for treating psoriasis with styryl-substituted pyridyl compounds Rh one-Poulenc Rorer Pharmaceuticals Inc. (US) 1997-01-28 US disclosed
WO-1997002263-A1 3(2H)-FURANONE DERIVATIVES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1997-01-23 WO disclosed
US-5512564-A VIRICIDES, AIDS BOEHRINGER MANNHEIM GMBH (DE) 1996-04-30 US disclosed
EP-0602097-B1 TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1996-04-24 EP disclosed
EP-0602097-A1 NEW TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION. BOEHRINGER MANNHEIM GMBH (DE) 1994-06-22 EP disclosed
EP-0525109-A4 STYRYL-SUBSTITUTED MONOCYCLIC AND BICYCLIC HETEROARYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR TYROSINE KINASE 1993-06-30 EP disclosed
WO-1993005047-A1 NEW TRICYCLIC THIAZOL AND OXAZOL DERIVATES WITH ANTIVIRAL ACTION BOEHRINGER MANNHEIM GMBH (DE) 1993-03-18 WO disclosed
EP-0525109-A1 STYRYL-SUBSTITUTED MONOCYCLIC AND BICYCLIC HETEROARYL COMPOUNDS WHICH INHIBIT EGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1993-02-03 EP disclosed
US-4369322-A WITH CYANOGEN CHLORIDE DEGUSSA AG (DE) 1983-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10060909-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 UHRF1 1027/4885CCR1 4260/4885CCR5 4474/4885
US-20200225217-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R40 UHRF1 883/4885CCR1 4175/4885CCR5 4548/4885
US-10557845-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS1R2, TAS1R1, TAS2R40 UHRF1 1027/4885CCR1 4260/4885CCR5 4474/4885
US-20180364220-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 UHRF1 846/4885CCR1 4182/4885CCR5 4553/4885
US-20220326230-A1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF TAS1R2, TAS1R1, TAS2R30 UHRF1 846/4885CCR1 4182/4885CCR5 4553/4885
US-11268952-B2 Flavors, flavor modifiers, tastants, taste enhancers, umami or sweet tastants, and/or enhancers and use thereof TAS2R40, TAS1R2, TAS1R1 UHRF1 1165/4885CCR1 4246/4885CCR5 4464/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.