SCHEMBL25461799

SCHEMBL25461799

c1ccc2nc(-c3nncc4c3sc3ccccc34)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.38
▸ NPC1 O15118 8/20 0.38
▸ HSD17B10 Q99714 5/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ AR P10275 4/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ TP53 P04637 4/20 0.35
▸ PKM P14618 3/20 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
SCHEMBL25461813 0.82 RAB9A (0.37) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL25461698 0.81 RAB9A (0.42) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL25461800 0.80 MAPT (0.38) RAB9ANPC1KDM4EALDH1A1CYP1A2
SCHEMBL25462168 0.78 RAB9A (0.38) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL15537126 0.75 AR (0.46) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL25461802 0.75 MAPT (0.38) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL25461812 0.74 LIMK1 (0.51) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL25461862 0.72 RAB9A (0.43) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL25461702 0.72 RAB9A (0.44) RAB9ANPC1HSD17B10KDM4EALDH1A1
SCHEMBL25461338 0.71 RAB9A (0.47) RAB9ANPC1HSD17B10KDM4EALDH1A1

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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE WUHAN TIANMA MICROELECTRONICS CO., LTD. (CN) 2023-05-18 — — 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-20230151020-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE OCIAD1, OCIAD2, EHD1 RAB9A 756/4885NPC1 1557/4885HSD17B10 652/4885

“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.

Send feedback