SCHEMBL3920946

SCHEMBL3920946

Cc1cc(Nc2nc(Cl)nc3cccn23)[nH]n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
CDK2 P24941 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 2/20 0.33
GAA P10253 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GLA P06280 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
PLK4 O00444 1/20 0.33
PAK4 O96013 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ENPP2 Q13822 1/20 0.32

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
SCHEMBL3932648 0.85 KDM4E (0.30) KMT2ARAB9ANPC1GAAKDM4E
SCHEMBL1268774 0.83 PAK4 (0.48) KMT2APLK4PAK4MEN1HSD17B10
SCHEMBL915798 0.81 DRD2 (0.36)
SCHEMBL1722967 0.79 JAK2 (0.42) KMT2AKDM4EALDH1A1POLBPLK4
SCHEMBL15485333 0.78 ROCK2 (0.37) KMT2APIK3CAMTORGAAKDM4E
SCHEMBL2169069 0.76 GRK6 (0.39) CDK2PLK4PAK4
SCHEMBL1269791 0.76 IGF1R (0.39) PLK4PAK4
SCHEMBL3935055 0.75 CHIT1 (0.39) RAB9ANPC1KDM4EPAK4MAPT
SCHEMBL3922462 0.74 PAK4 (0.31) MTORPAK4
SCHEMBL3932948 0.74 JAK2 (0.40) KMT2ARAB9ANPC1SMN1; SMN2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051980-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
EP-2051980-A1 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-04-29 EP disclosed
WO-2008021924-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 KMT2A 1500/4885CDK2 77/4885RAB9A 4254/4885

“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.