SCHEMBL4722950

SCHEMBL4722950

CC1(O)CCN(c2ccc([N+](=O)[O-])nc2)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
CHRNB2 P17787 4/20 0.47
CHRNA4 P43681 4/20 0.47
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
CRBN Q96SW2 1/20 0.38
TGM2 P21980 1/20 0.35
SIRT6 Q8N6T7 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CCR6 P51684 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
SCHEMBL612209 0.92 MAPT (0.65) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL1393073 0.89 MAPT (0.60) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL17054792 0.83 MAPT (0.68) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL17055159 0.82 MAPT (0.62) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL31586676 0.81 MAPT (0.61) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL23104443 0.81 MAPT (0.60) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL17055328 0.80 MAPT (0.56) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL18053948 0.79 MAPT (0.70) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL21245532 0.79 MAPT (0.62) MAPTPOLBRAB9ASMN1; SMN2CHRNB2
SCHEMBL31303379 0.79 MAPT (0.62) MAPTPOLBRAB9ASMN1; SMN2CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 CN disclosed
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 EP disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 US disclosed
US-20080221107-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-09-11 US disclosed
EP-1907398-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-09 EP disclosed
WO-2007011284-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-01-25 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 (4 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 MAPT 3390/4885POLB 921/4885RAB9A 1978/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 MAPT 3156/4885POLB 1065/4885RAB9A 2664/4885
US-20080221107-A1 Therapeutic Agents HTT, ACHE, GRIN2A MAPT 22/4885POLB 1714/4885RAB9A 822/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 MAPT 3156/4885POLB 1065/4885RAB9A 2664/4885

“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.