SCHEMBL20957951

SCHEMBL20957951

CCCCCCOc1nc(-n2ccnc2)nc(O)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP19A1 P11511 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CXCR2 P25025 5/20 0.39
POLB P06746 1/20 0.37
CD38 P28907 1/20 0.35
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TBXAS1 P24557 1/20 0.34
PLA2G4A P47712 1/20 0.34
TBXA2R P21731 1/20 0.33

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
SCHEMBL20957980 0.85 CYP1A2 (0.47) CYP3A4CYP2D6CYP19A1CYP1A2CYP2C9
SCHEMBL20957938 0.84 CYP3A4 (0.43) CYP3A4CYP2D6CYP19A1CYP1A2CYP2C9
SCHEMBL20958114 0.81 CYP1A2 (0.40) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL20958052 0.81 HRH3 (0.46) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL20564951 0.81 CD38 (0.40) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL20564999 0.81 TSHR (0.39) CYP3A4CYP2D6CYP19A1CYP1A2CYP2C9
SCHEMBL20958063 0.81 TSHR (0.42) CYP3A4CYP2D6CYP19A1CYP1A2CYP2C9
SCHEMBL20958121 0.80 CD38 (0.35) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL20958060 0.80 CD38 (0.41) CYP3A4CYP2D6CYP2C19CD38HTT
SCHEMBL20957961 0.79 CD38 (0.34) CYP3A4CYP2D6CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C CYP3A4 3097/4885CYP2D6 3481/4885CYP19A1 1089/4885

“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.