SCHEMBL9010938

SCHEMBL9010938

CCNCCCNC(C)C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.60
MEN1 O00255 1/20 0.60
GLA P06280 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP1A2 P05177 1/20 0.57
TSHR P16473 2/20 0.50
KDM1A O60341 5/20 0.48
SAT1 P21673 3/20 0.44
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL10045259 0.97 CYP2C19 (0.65) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL25569446 0.95 CYP2C19 (0.62) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL12319690 0.95 CYP2C19 (0.67) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL19749144 0.92 CYP2C19 (0.55) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL13893418 0.92 CYP2C19 (0.55) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL19308992 0.92 CYP2C19 (0.55) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL25565749 0.86 CYP2C19 (0.45) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL23806395 0.84 CYP2C19 (0.42) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL22753503 0.84 CYP2C19 (0.42) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL12085575 0.84 CYP2C19 (0.60) CYP2C19MEN1GLAKMT2ACYP1A2

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
WO-2022135332-A1 STEROID CONJUGATE 映恩生物制药(苏州)有限公司 2022-06-30 WO disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
US-4048312-A 2,4-Diaminoquinazolines as antithrombotic agents ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-3956495-A 2,4-Diaminoquinazolines as antithrombotic agents ELI LILLY AND COMPANY (US) 1976-05-11 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-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CYP2C19 2655/4885MEN1 1427/4885GLA 3549/4885
US-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 CYP2C19 433/4885MEN1 3223/4885GLA 430/4885

“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.