SCHEMBL12244367

SCHEMBL12244367

CC(C)c1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.75
CDK1 P06493 1/20 0.75
CCNB1 P14635 1/20 0.75
CCNB3 Q8WWL7 1/20 0.75
ESR1 P03372 3/20 0.55
ESR2 Q92731 3/20 0.55
CNR1 P21554 8/20 0.51
CNR2 P34972 1/20 0.51
VDR P11473 1/20 0.50
CYP19A1 P11511 1/20 0.49
KIF11 P52732 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GPR3 P46089 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
Aloisine B SCHEMBL29408792 0.86 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3CNR1
SCHEMBL7645847 0.85 CCNB2 (0.57) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL11797871 0.85 CCNB2 (0.57) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL10933044 0.85 CCNB2 (0.61) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL11656880 0.84 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL11619004 0.81 CCNB2 (0.53) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL21228922 0.81 CCNB2 (0.53) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL16454909 0.79 CNR1 (0.57) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL20104531 0.79 CCNB2 (0.50) CCNB2CDK1CCNB1CCNB3ESR1
SCHEMBL29090070 0.78 ESR1 (0.52) CCNB2CDK1CCNB1CCNB3ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20210382392-A1 HARD-MASK FORMING COMPOSITION AND METHOD FOR MANUFACTURING ELECTRONIC COMPONENT TOKYO OHKA KOGYO CO., LTD. (JP) 2021-12-09 US disclosed
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-15 US disclosed
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists Nimbus Saturn, Inc. (US) 2021-06-08 US disclosed
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-06-01 US disclosed
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-03-25 US disclosed
US-20200223848-A1 DEGRADATION AGENT USING AUTOPHAGIC MECHANISM OF DAMAGED MITOCHONDRIA TOHOKU UNIVERSITY (JP) 2020-07-16 US disclosed
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-13 US disclosed
US-8470889-B2 Hybrid-ionone and curcumin molecules as anticancer agents TRT PHARMA INC. (CA) 2013-06-25 US disclosed
US-20110230488-A1 HYBRID-IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS TRT PHARMA INC. (CA) 2011-09-22 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 (9 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-20110230488-A1 HYBRID-IONONE AND CURCUMIN MOLECULES AS ANTICANCER AGENTS IKBKG, HSD17B11, IKBKE CCNB2 1293/4885CDK1 953/4885CCNB1 648/4885
US-11028085-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists HIPK1, PDXK, IP6K1 CCNB2 2588/4885CDK1 349/4885CCNB1 2895/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CCNB2 3718/4885CDK1 576/4885CCNB1 3870/4885
US-20170198006-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 CCNB2 2530/4885CDK1 620/4885CCNB1 2287/4885
US-20200223848-A1 DEGRADATION AGENT USING AUTOPHAGIC MECHANISM OF DAMAGED MITOCHONDRIA HSPA9, ATG7, TFAM CCNB2 3763/4885CDK1 3136/4885CCNB1 3906/4885
US-20210087190-A1 SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, IP6K1 CCNB2 2588/4885CDK1 349/4885CCNB1 2895/4885
US-11021481-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 CCNB2 2588/4885CDK1 349/4885CCNB1 2895/4885
US-20210087189-A1 SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS HIPK1, PDXK, SIK1 CCNB2 1555/4885CDK1 174/4885CCNB1 1776/4885
US-11034694-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, IP6K1, PDXK CCNB2 2634/4885CDK1 465/4885CCNB1 3118/4885

“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.