SCHEMBL31291305

SCHEMBL31291305

CC(O)c1cc2ccccc2n1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.53
KMT2A Q03164 2/20 0.52
DAO P14920 1/20 0.49
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
TERT O14746 1/20 0.45
PHGDH O43175 1/20 0.43
SLC9A1 P19634 1/20 0.41
CA12 O43570 1/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
CA9 Q16790 1/20 0.41
KAT2B Q92831 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
UGT2B7 P16662 1/20 0.41

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
SCHEMBL11600616 1.00 MCL1 (0.53) MCL1KMT2ADAOALDH1A1MAPT
SCHEMBL9887744 0.84 KMT2A (0.55) MCL1KMT2ADAOALDH1A1MAPT
SCHEMBL20746874 0.81 KMT2A (0.52) MCL1KMT2ADAOALDH1A1MAPT
SCHEMBL9565143 0.81 KMT2A (0.52) MCL1KMT2ADAOALDH1A1MAPT
SCHEMBL27852170 0.80 MCL1 (0.57) MCL1KMT2ADAOALDH1A1MAPT
SCHEMBL9868488 0.80 MCL1 (0.57) MCL1KMT2ADAOALDH1A1MAPT
SCHEMBL21807358 0.80 MCL1 (0.57) MCL1KMT2ADAOALDH1A1MAPT
SCHEMBL21795440 0.79 KMT2A (0.50) MCL1KMT2ADAOALDH1A1MAPT
SCHEMBL21807395 0.79 MCL1 (0.47) MCL1KMT2ADAOALDH1A1MAPT
SCHEMBL2423816 0.79 MCL1 (0.47) MCL1KMT2ADAOALDH1A1MAPT

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-20250120948-A1 Small Molecules G(alpha)I2 Inhibitors and Combination With Anticancer Drugs and Use Thereof CLARK ATLANTA UNIVERSITY 2025-04-17 US disclosed
WO-2024249642-A1 EGFR INHIBITORS ACERAND THERAPEUTICS (HONG KONG) LIMITED (CN) 2024-12-05 WO 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-20250120948-A1 Small Molecules G(alpha)I2 Inhibitors and Combination With Anticancer Drugs and Use Thereof GDI2, GNAI2, GNAI3 MCL1 1450/4885KMT2A 4001/4885DAO 4406/4885

“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.