SCHEMBL3498262

SCHEMBL3498262

Nc1nc2[nH]nc(-c3ccccn3)c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 8/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PI4KA P42356 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
LRRK2 Q5S007 1/20 0.45
PIM1 P11309 2/20 0.41
ULK1 O75385 1/20 0.40
CDK7 P50613 1/20 0.40
CDK5 Q00535 1/20 0.40
PRKCE Q02156 1/20 0.40
CAMK2G Q13555 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
RPS6KA1 Q15418 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
MAP3K19 Q56UN5 1/20 0.40
CAMKK1 Q8N5S9 1/20 0.40
CAMKK2 Q96RR4 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
SCHEMBL3498258 0.80 LRRK2 (0.40) TGFBR1LRRK2PIM1NPC1RAB9A
SCHEMBL3499091 0.78 ALDH1A1 (0.50) PIK3CAPI4KAPI4KBNPC1RAB9A
SCHEMBL3501713 0.75 ADORA2A (0.60) NPC1RAB9AKDM4EMAPTPKM
SCHEMBL3500820 0.73 MYC (0.50) PIK3CANPC1RAB9AKDM4EALPL
SCHEMBL3499093 0.71 MYC (0.49) PIK3CGL3MBTL1ADORA1
SCHEMBL31361561 0.70 TGFBR1 (0.55) TGFBR1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL11796387 0.70 TGFBR1 (0.56) TGFBR1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL3737029 0.70 TGFBR1 (0.55) TGFBR1PIK3CDPIK3CAPI4KAPIK3CG
SCHEMBL5199282 0.69 LRRK2 (0.54) LRRK2PIM1ULK1CDK7CDK5
Bromide SCHEMBL29078717 0.69 TGFBR1 (0.54) TGFBR1PIK3CDPIK3CAPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 TGFBR1 3069/4885PIK3CD 263/4885PIK3CA 353/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 TGFBR1 3069/4885PIK3CD 263/4885PIK3CA 353/4885

“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.