SCHEMBL7996526

SCHEMBL7996526

Cn1cc2c(n1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.44
DRD2 P14416 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 3/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8001513 0.95
SCHEMBL18638183 0.74 HTT (0.56) HTTGAASMN1; SMN2TSHRRAB9A
SCHEMBL1100977 0.73 HTT (0.46) HTTGAASMN1; SMN2TSHRRAB9A
SCHEMBL29341580 0.72 PDK2 (0.33) DRD4
SCHEMBL15980400 0.72 MAOA (0.45) DRD4DRD2
SCHEMBL1610177 0.72 DRD4 (0.35) DRD4HTTGAADRD2
SCHEMBL12250991 0.72 HDAC8 (0.43) HTTGAASMN1; SMN2TSHRRAB9A
SCHEMBL16154696 0.72 PDK2 (0.44) HTTGAASMN1; SMN2TSHRRAB9A
SCHEMBL18896278 0.72 HTT (0.59) HTTGAASMN1; SMN2TSHRRAB9A
SCHEMBL12489993 0.72 MAOA (0.45) DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024028411-A1 COMBINATION THERAPY OF CDK7 INHIBITORS WITH OTHER ANTI-CANCER THERAPIES QURIENT CO., LTD. (KR) 2024-02-08 WO disclosed
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors QURIENT CO., LTD. (KR) 2024-01-02 US disclosed
US-20230391790-A1 INDENE DERIVATIVES USEFUL IN TREATING PAIN AND INFLAMMATION TARO PHARMACEUTICALS INC. (CA) 2023-12-07 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
WO-2023205645-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed
US-11773108-B2 Indene derivatives useful in treating pain and inflammation TARO PHARMACEUTICALS INC. (CA) 2023-10-03 US disclosed
WO-2023175173-A1 CDK7 INHIBITORS FOR ANTIVIRAL TREATMENT QURIENT CO., LTD. (KR) 2023-09-21 WO disclosed
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed
WO-2023107557-A1 COMPOUNDS AND COMPOSITIONS THAT INHIBIT PIKFYVE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20120316185-A1 Cyclohexyl Amide Derivatives as CRF Receptor Antagonists NOVARTIS AG (CH) 2012-12-13 US disclosed
US-20120316185-A1 Cyclohexyl Amide Derivatives as CRF Receptor Antagonists NOVARTIS AG (CH) 2012-12-13 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 US disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-01 US disclosed
WO-2001055136-A1 BENZOXAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO 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 (10 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-20230391790-A1 INDENE DERIVATIVES USEFUL IN TREATING PAIN AND INFLAMMATION IL1B, IL1A, LTB4R DRD4 1804/4885HTT 2479/4885GAA 4780/4885
US-20120316185-A1 Cyclohexyl Amide Derivatives as CRF Receptor Antagonists CRHR2, CRHR1, CRH DRD4 1041/4885HTT 3462/4885GAA 3997/4885
US-11858937-B2 Substituted pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines as CDK inhibitors CDKL5, CDK15, CDK5 DRD4 3489/4885HTT 4192/4885GAA 2264/4885
US-20070049495-A1 Ethylene derivatives and pesticides containing said derivatives DDT, ECE1, EBPL DRD4 185/4885HTT 3519/4885GAA 3315/4885
US-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB DRD4 4880/4885HTT 2514/4885GAA 782/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 DRD4 3613/4885HTT 3263/4885GAA 4524/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 DRD4 4029/4885HTT 652/4885GAA 172/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 DRD4 4444/4885HTT 3554/4885GAA 4364/4885
US-11773108-B2 Indene derivatives useful in treating pain and inflammation IL1B, IL1A, LTB4R DRD4 1784/4885HTT 2415/4885GAA 4786/4885
US-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 DRD4 4107/4885HTT 2526/4885GAA 223/4885

“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.