SCHEMBL2243249

SCHEMBL2243249

CS(=O)(=O)CCNc1nc(N)nn2ccc(-c3cc(C4CC4)[nH]n3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.37
HTT P42858 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2D6 P10635 1/20 0.34
FLT3 P36888 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
DAPK3 O43293 1/20 0.32
STK17B O94768 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
SCHEMBL2512128 0.86 SMN1; SMN2 (0.34) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2210651 0.82 IGF1R (0.42) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2207390 0.80 NTRK1 (0.44) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2212445 0.80 IGF1R (0.46) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2210092 0.80 IGF1R (0.37) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2208325 0.80 APP (0.42) LMNACYP1A2CYP2C19MAPTCYP3A4
SCHEMBL2210309 0.79 SMN1; SMN2 (0.41) HTTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL2211405 0.78 APP (0.42) DAPK3IGF1RMAPK14HRH4
SCHEMBL2211885 0.78 NTRK1 (0.40) CYP1A2CYP2C19CYP2C9CYP2D6IGF1R
SCHEMBL2209654 0.78 IGF1R (0.44) HTTSMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7982033-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 MAT2A 2346/4885HTT 1449/4885SMN1; SMN2 3634/4885

“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.