SCHEMBL20196486

SCHEMBL20196486

CSc1cnc(Nc2ccc(C(=O)Nc3ccccc3C)cc2F)nc1-c1cccnc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.40
ABL1 P00519 3/20 0.40
GAA P10253 2/20 0.40
KDR P35968 2/20 0.40
PDGFRB P09619 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL30114870 1.00 AURKA (0.47) AURKAMEN1KMT2ANPC1RAB9A
SCHEMBL21799106 0.91
SCHEMBL20188503 0.89 AURKA (0.58) AURKAMAPT
SCHEMBL30114784 0.89 AURKA (0.58) AURKAMAPT
SCHEMBL30114830 0.86 PTK2 (0.42) AURKAMAPTABL1LMNABCR
SCHEMBL21799104 0.86 PTK2 (0.42) AURKAMAPTABL1LMNABCR
SCHEMBL30530287 0.84 PTK2 (0.44) AURKAMAPTABL1KDRLMNA
SCHEMBL20188131 0.84 PTK2 (0.44) AURKAMAPTABL1KDRLMNA
SCHEMBL20188270 0.79
SCHEMBL30114704 0.79

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP claimed
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US claimed
US-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-03-12 US claimed
EP-3544685-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF Development Center for Biotechnology (TW) 2019-10-02 EP claimed
WO-2018098250-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2018-05-31 WO claimed
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP disclosed
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US disclosed
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US disclosed
US-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-03-12 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 (2 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-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF SHH, GLI1, SMO AURKA 3493/4885MEN1 1158/4885KMT2A 1013/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 AURKA 3336/4885MEN1 1588/4885KMT2A 1238/4885

“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.