SCHEMBL22958804

SCHEMBL22958804

CCC(C)c1cc(C)nc2c(-c3sc(N4CCOCC4)nc3Cl)c(C)nn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.56
CRHR2 Q13324 1/20 0.56
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 4/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPY1R P25929 4/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35

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
SCHEMBL2182127 0.93 CRHR1 (0.61) CRHR1CRHR2KMT2APOLBHSD17B10
SCHEMBL2180543 0.89 CRHR1 (0.54) CRHR1CRHR2KMT2APOLBHSD17B10
SCHEMBL29430976 0.87 CRHR1 (0.57) CRHR1CRHR2KMT2APOLBHSD17B10
SCHEMBL29256009 0.86 CRHR1 (0.54) CRHR1CRHR2KMT2APOLBHSD17B10
SCHEMBL2931339 0.83 CRHR1 (0.52) CRHR1CRHR2KMT2APOLBHSD17B10
SCHEMBL25490371 0.83 CRHR1 (0.56) CRHR1CRHR2KMT2APOLBHSD17B10
SCHEMBL25490375 0.83 CRHR1 (0.49) CRHR1CRHR2KMT2APOLBHSD17B10
SCHEMBL2928067 0.81 CRHR1 (0.50) CRHR1CRHR2KMT2APOLBHSD17B10
SCHEMBL27051835 0.81 CRHR1 (0.50) CRHR1CRHR2KMT2APOLBHSD17B10
SCHEMBL2496095 0.81 CRHR1 (0.49) CRHR1CRHR2KMT2APOLBHSD17B10

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-20210038604-A1 METHODS FOR TREATING TESTICULAR AND OVARIAN ADRENAL REST TUMORS AVENUE CAPITAL MANAGEMENT II, L.P. 2021-02-11 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 (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-20210038604-A1 METHODS FOR TREATING TESTICULAR AND OVARIAN ADRENAL REST TUMORS NR5A1, SHBG, CYP17A1 CRHR1 50/4885CRHR2 61/4885KMT2A 1377/4885

“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.