SCHEMBL2210309

SCHEMBL2210309

Nc1nc(N)c2c(-c3cc(C4CC4)[nH]n3)ccn2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 2/20 0.38
S1PR2 O95136 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
GAA P10253 1/20 0.37
MKNK1 Q9BUB5 5/20 0.37
MKNK2 Q9HBH9 5/20 0.37

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
SCHEMBL2207390 0.79 NTRK1 (0.44) SMN1; SMN2KMT2AHTTLMNAMEN1
SCHEMBL2211363 0.79 HRH4 (0.38) SMN1; SMN2KMT2AHTTLMNAMEN1
SCHEMBL2212117 0.79 HRH4 (0.38) SMN1; SMN2KMT2AHTTLMNAMEN1
SCHEMBL2512128 0.79 SMN1; SMN2 (0.34) SMN1; SMN2KMT2AHTTLMNAMEN1
SCHEMBL2211405 0.79 APP (0.42) ROCK1
SCHEMBL2243249 0.79 MAT2A (0.37) SMN1; SMN2KMT2AHTTLMNAMEN1
SCHEMBL2211885 0.77 NTRK1 (0.40) CYP1A2CYP2C19CYP2C9CYP2D6MKNK1
SCHEMBL2208325 0.77 APP (0.42) LMNACYP1A2CYP2C19MAPTCYP3A4
SCHEMBL2212445 0.77 IGF1R (0.46) SMN1; SMN2KMT2AHTTLMNAMEN1
SCHEMBL2210092 0.77 IGF1R (0.37) SMN1; SMN2KMT2AHTTLMNAMEN1

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-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US claimed
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
US-7982033-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 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-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 SMN1; SMN2 3634/4885KMT2A 2698/4885HTT 1449/4885

“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.