SCHEMBL19229725

SCHEMBL19229725

C=C1CN(CC(C)C)CCN1C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.61
▸ COMT P21964 1/20 0.36
▸ MAPT P10636 1/20 0.32
▸ SLC2A1 P11166 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ HRH2 P25021 1/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16260596 0.76 PIK3CD (1.00) PIK3CDCOMTNPC1RAB9AHRH2
SCHEMBL13683796 0.72 PIK3CD (0.32) PIK3CD
SCHEMBL2001262 0.69 — —
SCHEMBL1621691 0.69 PIK3CD (0.61) PIK3CDCOMTSLC2A1NPC1RAB9A
SCHEMBL20438377 0.69 PIK3CD (0.61) PIK3CDCOMTSLC2A1NPC1RAB9A
SCHEMBL24209746 0.69 PIK3CD (0.61) PIK3CDCOMTSLC2A1NPC1RAB9A
SCHEMBL26225719 0.68 PIK3CD (0.51) PIK3CDCOMTMAPTSLC2A1NPC1
SCHEMBL12027034 0.68 KDM4E (0.31) PIK3CDMAPT
Hydrochloric Acid SCHEMBL5183545 0.67 — —
SCHEMBL12530217 0.67 PIK3CD (0.42) PIK3CDCOMTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER DANA-FARBER CANCER INSTITUTE, INC. 2023-12-14 — — US disclosed
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-07-20 — — US disclosed
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 — — US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 — — US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 — — US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 — — US disclosed
US-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-08-17 — — 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 (7 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-20170233411-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 PIK3CD 813/4885COMT 2053/4885MAPT 4161/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC PIK3CD 1684/4885COMT 3362/4885MAPT 3025/4885
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDKL4, CDKL5, PIP5K1A PIK3CD 31/4885COMT 2591/4885MAPT 1124/4885
US-20230227433-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF CDK12, CDK1, CDK13 PIK3CD 596/4885COMT 1615/4885MAPT 449/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 PIK3CD 52/4885COMT 3567/4885MAPT 807/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 PIK3CD 767/4885COMT 1507/4885MAPT 458/4885
US-20230399304-A1 COVALENT INHIBITORS OF CREATINE KINASE (CK) AND USES THEREOF FOR TREATING AND PREVENTING CANCER CKMT1A; CKMT1B, PHKG1, PCK1 PIK3CD 1746/4885COMT 797/4885MAPT 4367/4885

“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.

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