SCHEMBL4351000

SCHEMBL4351000

CC(C)n1cc(C#N)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
CREBBP Q92793 2/20 0.38
KDM5A P29375 1/20 0.36
KDM4E B2RXH2 1/20 0.33
CYP11B2 P19099 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP11B1 P15538 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KIT P10721 1/20 0.32
IRAK4 Q9NWZ3 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
AURKA O14965 1/20 0.32
LIMK1 P53667 1/20 0.32
AURKB Q96GD4 1/20 0.32
PIK3CD O00329 1/20 0.32
PIP5K1C O60331 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL21214990 0.81 KDM4E (0.36) ACHECREBBPKDM4EIRAK4
SCHEMBL26854569 0.81 CREBBP (0.35) ACHECREBBPKDM4ECYP19A1IRAK4
SCHEMBL26854653 0.81 CREBBP (0.35) ACHECREBBPKDM4ECYP19A1IRAK4
SCHEMBL17395099 0.81 IRAK4 (0.38) ACHECREBBPKDM4ECYP11B2CYP19A1
SCHEMBL29544363 0.80 ACHE (0.35) ACHECREBBPCYP11B2CYP19A1IRAK4
SCHEMBL24428114 0.79 ACHE (0.44) ACHEPIK3CDPIP5K1CPIK3CAPI4KA
SCHEMBL19182637 0.78 ACHE (0.52) ACHECREBBPCYP11B2CYP19A1
SCHEMBL26860428 0.76 IRAK4 (0.32) CREBBPCYP11B2CYP19A1IRAK4
SCHEMBL945086 0.73
SCHEMBL26856115 0.71 CYP19A1 (0.36) KDM4ECYP19A1IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP claimed
US-20240239835-A9 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-11912738-B2 Neuroactive steroids and their methods of use SAGE THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PETRA PHARMA CORPORATION (US) 2024-01-16 US disclosed
US-11820756-B2 Bradykinin B2 receptor antagonists Pharvaris Netherlands B.V. (NL) 2023-11-21 US disclosed
US-11820756-B2 Bradykinin B2 receptor antagonists Pharvaris Netherlands B.V. (NL) 2023-11-21 US disclosed
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER SCHRÖDINGER, INC. 2023-11-16 US disclosed
WO-2023215801-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-11-09 WO disclosed
US-20230322849-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE SAGE THERAPEUTICS, INC. 2023-10-12 US disclosed
WO-2017137337-A1 SUBSTITUTED IMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-17 WO disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-7614145-B2 Method for manufacturing multilayer circuit board and resin base material ZEON CORPORATION (JP) 2009-11-10 US disclosed
CN-100496195-C Mulitilayer circuit board, resin base material, and its production method ZEON CORP (JP) 2009-06-03 CN disclosed
US-20080217617-A1 Thin Film Transistor, Wiring Board and Methods of Manufacturing the Same ZEON CORPORATION (JP) 2008-09-11 US disclosed
CN-100383278-C Partial plating method, partially-plated resin base, method for manufacturing multilayer circuit board ZEON CORP (JP) 2008-04-23 CN disclosed
US-20050153059-A1 Partial plating method, partially-plated resin base, method for manufacturing multilayered circuit board ZEON CORPORATION (JP) 2005-07-14 US disclosed
CN-1639384-A Partial plating method, partially-plated resin base, method for manufacturing multilayer circuit board ZEON CORP (JP) 2005-07-13 CN disclosed
US-20040237295-A1 Multilayer circuit board and resin base material, and its production method ZEON CORPORATION (JP) 2004-12-02 US disclosed
CN-1552174-A Mulitilayer circuit board, resin base material, and its production method �ձ�������ʽ���� 2004-12-01 CN 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 (8 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-20230322849-A1 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE NR3C2, MC2R, NR3C1 ACHE 142/4885CREBBP 1251/4885KDM5A 1919/4885
US-20230365584-A1 HETEROCYCLIC PERICONDENSED CDC7 KINASE INHIBITORS FOR THE TREATMENT OF CANCER CDC7, BUB1B, CDK7 ACHE 3412/4885CREBBP 2275/4885KDM5A 1784/4885
US-11873295-B2 Allosteric chromenone inhibitors of phosphoinositide 3-kinase (PI3K) for the treatment of disease PIK3CA, PIK3R4, PIK3R5 ACHE 1864/4885CREBBP 952/4885KDM5A 4258/4885
US-20240239835-A9 NEUROACTIVE STEROIDS AND THEIR METHODS OF USE MC2R, NR3C2, AVPR1B ACHE 188/4885CREBBP 973/4885KDM5A 2710/4885
US-11912738-B2 Neuroactive steroids and their methods of use NR3C2, MC2R, NR3C1 ACHE 142/4885CREBBP 1251/4885KDM5A 1919/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS ACHE 4751/4885CREBBP 126/4885KDM5A 4430/4885
US-11820756-B2 Bradykinin B2 receptor antagonists BDKRB2, BDKRB1, VIPR2 ACHE 1677/4885CREBBP 3287/4885KDM5A 1900/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ACHE 568/4885CREBBP 499/4885KDM5A 3086/4885

“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.