SCHEMBL2952245

SCHEMBL2952245

Cc1ccnc(-c2cc(C)cc(C#N)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.59
CCR5 P51681 1/20 0.59
CCR8 P51685 1/20 0.59
METAP2 P50579 1/20 0.44
CYP2A6 P11509 1/20 0.40
UHRF1 Q96T88 1/20 0.39
GRM5 P41594 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
KMT2A Q03164 1/20 0.37
VHL P40337 1/20 0.37
LRRK2 Q5S007 2/20 0.36
SYK P43405 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
KDR P35968 1/20 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
SCHEMBL9426089 0.85 KDM4E (0.36) CYP2A6KDM4EMEN1NOS3NOS1
SCHEMBL31754560 0.83 GRM5 (0.51) CCR1CCR5CCR8METAP2GRM5
SCHEMBL198098 0.81 CCR1 (0.81) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL91455 0.79
SCHEMBL30078627 0.79
Hydrochloric Acid SCHEMBL30496256 0.77 UHRF1 (0.48) CCR1CCR5CCR8METAP2CYP2A6
Hydrochloric Acid SCHEMBL30478264 0.77 UHRF1 (0.48) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL29397106 0.77 CCR1 (1.00) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL181893 0.77 CCR1 (1.00) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL24683565 0.76 CCR1 (0.71) CCR1CCR5CCR8METAP2CYP2A6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018134847-A1 IMMUNOSUPPRESSIVE AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-07-26 WO disclosed
WO-2018134847-A1 IMMUNOSUPPRESSIVE AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-07-26 WO disclosed
EP-2868661-B1 BIPYRIDYL TRIAZOLE RARE EARTH COMPLEX AND PREPARATION PROCESS THEREFOR GUANGDONG SYNYOO NEW MATERIAL CO LTD (CN) 2016-11-09 EP disclosed
EP-2868661-A1 BIPYRIDYL TRIAZOLE RARE EARTH COMPLEX AND PREPARATION PROCESS THEREFOR Guangdong Synyoo New Material Co. Ltd. (CN) 2015-05-06 EP disclosed
US-8853399-B1 Bipyridine triazole type rare earth complex and preparation method thereof GUANGDONG SYNYOO NEW MATERIAL CO., LTD. (CN) 2014-10-07 US disclosed
US-8853399-B1 Bipyridine triazole type rare earth complex and preparation method thereof GUANGDONG SYNYOO NEW MATERIAL CO., LTD. (CN) 2014-10-07 US disclosed
US-20140288305-A1 BIPYRIDINE TRIAZOLE TYPE RARE EARTH COMPLEX AND PREPARATION METHOD THEREOF GUANGDONG SYNYOO NEW MATERIAL CO., LTD. (CN) 2014-09-25 US disclosed
US-20140288305-A1 BIPYRIDINE TRIAZOLE TYPE RARE EARTH COMPLEX AND PREPARATION METHOD THEREOF GUANGDONG SYNYOO NEW MATERIAL CO., LTD. (CN) 2014-09-25 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP 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 (3 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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 CCR1 199/4885CCR5 51/4885CCR8 1839/4885
US-20140288305-A1 BIPYRIDINE TRIAZOLE TYPE RARE EARTH COMPLEX AND PREPARATION METHOD THEREOF LAS1L, RUVBL1, PDCD2L CCR1 3156/4885CCR5 3199/4885CCR8 4475/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 CCR1 199/4885CCR5 51/4885CCR8 1839/4885

“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.