SCHEMBL6503870

SCHEMBL6503870

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(CC)CC3)cc2)c2c1CNC2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.45
FLT3 P36888 3/20 0.45
HDAC1 Q13547 1/20 0.45
FGFR2 P21802 5/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AURKA O14965 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDR P35968 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
Hydrochloric Acid SCHEMBL2927706 0.99 FGFR1 (0.44) FGFR1FLT3HDAC1FGFR2POLB
SCHEMBL5449603 0.92 MEN1 (0.49) FLT3NPC1RAB9ASMN1; SMN2AURKA
Hydrochloric Acid SCHEMBL2927668 0.91 MEN1 (0.48) FLT3NPC1RAB9ASMN1; SMN2AURKA
SCHEMBL2922698 0.91 KMT2A (0.47) FGFR1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3903873 0.89 FGFR1 (0.42) FGFR1FLT3SMN1; SMN2AURKAMEN1
Hydrochloric Acid SCHEMBL2923186 0.88 FGFR1 (0.42) FGFR1FLT3SMN1; SMN2AURKAMEN1
Hydrochloric Acid SCHEMBL2929385 0.88 KMT2A (0.38) FGFR1FLT3HDAC1NPC1RAB9A
SCHEMBL2921040 0.88 FGFR1 (0.40) FGFR1FLT3NPC1RAB9ASMN1; SMN2
SCHEMBL2928661 0.88 KMT2A (0.38) FLT3HDAC1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3899899 0.88 FGFR1 (0.40) FGFR1FLT3NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032839-A1 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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-20050032839-A1 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K3, MAP3K19, MAP3K9 FGFR1 585/4885FLT3 250/4885HDAC1 891/4885

“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.