SCHEMBL21025787

SCHEMBL21025787

Cc1nc2ccc(C(C)(C)C)cc2n1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.49
CYP11B1 P15538 10/20 0.49
CDK9 P50750 2/20 0.49
CCNT1 O60563 1/20 0.49
CYP19A1 P11511 2/20 0.47
ADRB1 P08588 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8130710 0.87 CYP11B2 (0.64) CYP11B2CYP11B1CDK9CCNT1CYP19A1
SCHEMBL17586640 0.81 CYP11B2 (0.58) CYP11B2CYP11B1CDK9CCNT1CYP19A1
SCHEMBL17678354 0.81 CYP11B2 (0.58) CYP11B2CYP11B1CDK9CCNT1CYP19A1
SCHEMBL30847394 0.78 CDK9 (0.51) CYP11B2CYP11B1CDK9CCNT1CYP19A1
SCHEMBL30856700 0.78 KDM4E (0.65) CYP11B2CYP11B1CDK9CCNT1CYP19A1
SCHEMBL17678202 0.78 CDK9 (0.51) CYP11B2CYP11B1CDK9CCNT1CYP19A1
SCHEMBL31587638 0.76 AKT1 (0.45) CYP11B2CYP11B1CDK9CCNT1ALDH1A1
SCHEMBL27120383 0.76 CDK9 (0.49) CYP11B2CYP11B1CDK9CCNT1CYP19A1
SCHEMBL8279311 0.76 ESRRA (0.52) CDK9KDM4EALDH1A1MAPTTDP1
SCHEMBL9673866 0.74 CCR5 (0.60) CYP11B2CYP11B1CDK9CCNT1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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 (1 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 CYP11B2 1253/4885CYP11B1 1085/4885CDK9 3556/4885

“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.