SCHEMBL20980481

SCHEMBL20980481

Cc1n[nH]cc1-c1nc(-n2ccnc2)nc(O)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD38 P28907 2/20 0.35
TSHR P16473 3/20 0.32
NPC1 O15118 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20958002 0.80 KDM5B (0.42) CD38TSHRNPC1HSD17B10MEN1
SCHEMBL20564288 0.79 NPSR1 (0.40) CD38TSHRNPC1HSD17B10MEN1
SCHEMBL20958128 0.78 KDM5B (0.41) CD38TSHRNPC1HSD17B10MEN1
SCHEMBL20957911 0.75 CYP1A2 (0.46) CD38TSHRNPC1HSD17B10MEN1
SCHEMBL20957843 0.75 NPSR1 (0.54) TSHRNPC1HSD17B10MEN1USP2
SCHEMBL20980537 0.74 KDM4E (0.49) TSHRNPC1HSD17B10MEN1USP2
SCHEMBL20957914 0.74 TSHR (0.35) CD38TSHRNPC1HSD17B10MEN1
SCHEMBL20564985 0.73 NPSR1 (0.40) CD38TSHRNPC1HSD17B10MEN1
SCHEMBL20564999 0.73 TSHR (0.39) CD38TSHRNPC1HSD17B10MEN1
SCHEMBL20958073 0.72 KDM5B (0.42) CD38TSHRNPC1HSD17B10MEN1

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-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 CD38 791/4885TSHR 4525/4885NPC1 3986/4885

“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.