SCHEMBL31276643

SCHEMBL31276643

Cc1nnc(-c2ccc(Cl)cc2I)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.47
NPC1 O15118 10/20 0.45
RAB9A P51151 10/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
SMN1; SMN2 Q16637 9/20 0.43
HPGD P15428 7/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 4/20 0.43
TP53 P04637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.38

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
SCHEMBL4856880 0.78 GUSB (0.49) NOTUMNPC1RAB9ACYP1A2CYP2C19
SCHEMBL12479329 0.75 RAB9A (0.52) NOTUMNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL31276662 0.75 ALDH1A1 (0.51) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL31276846 0.71 NOTUM (0.66) NOTUMNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL15272615 0.71 NOTUM (0.41) NOTUMNPC1RAB9ASMN1; SMN2CA12
SCHEMBL2310162 0.71 NPC1 (0.60) NOTUMNPC1RAB9ACYP1A2CYP2C19
SCHEMBL32689808 0.70 SMN1; SMN2 (0.49) NOTUMNPC1RAB9ACYP1A2CYP2C19
SCHEMBL10039243 0.69 NPC1 (0.69) NOTUMNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL3512191 0.69 NOTUM (0.49) NOTUMNPC1RAB9ACYP1A2CYP2C19
SCHEMBL11475700 0.69 NPC1 (0.77) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2

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
EP-4712969-A1 CYCLIN INHIBITORS Circle Pharma, Inc. (US) 2026-03-25 EP disclosed
US-20240408169-A1 CYCLIN INHIBITORS CIRCLE PHARMA, INC. 2024-12-12 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-20240408169-A1 CYCLIN INHIBITORS CCNI, CDK2, CDK1 NOTUM 3430/4885NPC1 3497/4885RAB9A 3508/4885

“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.