SCHEMBL2212445

SCHEMBL2212445

COc1ccc(CNc2nc(N)nn3ccc(-c4cc(C5CC5)[nH]n4)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.46
HTT P42858 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PDE2A O00408 1/20 0.41
APP P05067 1/20 0.40
MAPT P10636 1/20 0.40
EGFR P00533 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CDK2 P24941 2/20 0.38

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
SCHEMBL2211032 0.91 IGF1R (0.48) IGF1RHTTSMN1; SMN2LMNACYP1A2
SCHEMBL2210651 0.90 IGF1R (0.42) IGF1RHTTSMN1; SMN2LMNACYP1A2
SCHEMBL2207390 0.88 NTRK1 (0.44) IGF1RHTTSMN1; SMN2LMNACYP1A2
SCHEMBL2208325 0.84 APP (0.42) IGF1RLMNACYP1A2CYP3A4CYP2C9
SCHEMBL2210092 0.82 IGF1R (0.37) IGF1RHTTSMN1; SMN2LMNACYP1A2
SCHEMBL2211405 0.82 APP (0.42) IGF1RPDE2AAPPCDK9CDK5
SCHEMBL2512128 0.81 SMN1; SMN2 (0.34) IGF1RHTTSMN1; SMN2LMNACYP1A2
SCHEMBL2211885 0.80 NTRK1 (0.40) IGF1RCYP1A2CYP2C9CYP2C19PDE2A
SCHEMBL2243249 0.80 MAT2A (0.37) IGF1RHTTSMN1; SMN2LMNACYP1A2
SCHEMBL2210309 0.77 SMN1; SMN2 (0.41) HTTSMN1; SMN2LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268998-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US claimed
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US claimed
US-8268998-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
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
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 (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-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 IGF1R 131/4885HTT 1449/4885SMN1; SMN2 3634/4885
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 IGF1R 131/4885HTT 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.