SCHEMBL20691197

SCHEMBL20691197

CNC(=O)c1ccc(NC(=O)C=C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ NPC1 O15118 5/20 0.62
▸ RAB9A P51151 5/20 0.62
▸ TSHR P16473 2/20 0.62
▸ HTT P42858 2/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ GAA P10253 1/20 0.62
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.50
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ GPR55 Q9Y2T6 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL23336506 0.85 NPC1 (0.60) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL11759969 0.84 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL20691193 0.81 TGM2 (0.62) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL10153970 0.80 CACNA1B (0.67) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL18019596 0.79 NPC1 (0.69) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL20284039 0.78 NPC1 (0.70) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL3713301 0.78 NPC1 (0.70) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL16610324 0.77 CACNA1B (0.73) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL17675351 0.77 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ATSHRHTT
SCHEMBL4135335 0.77 NPC1 (1.00) SMN1; SMN2NPC1RAB9ATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057956-B1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) DANA FARBER CANCER INST INC (US) 2021-05-05 — — EP disclosed
US-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-02 — — US disclosed
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) PARAZA PHARMA, INC. (CA) 2019-01-31 — — 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 (2 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-10906889-B2 Polycyclic inhibitors of cyclin-dependent kinase 7 (CDK7) CDK13, CDK3, CDK12 SMN1; SMN2 1178/4885NPC1 4445/4885RAB9A 3383/4885
US-20190031642-A1 POLYCYCLIC INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) CDK13, CDK3, CDK12 SMN1; SMN2 1178/4885NPC1 4445/4885RAB9A 3383/4885

“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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