SCHEMBL2211032

SCHEMBL2211032

COc1cccc(CNc2nc(N)nn3ccc(-c4cc(C5CC5)[nH]n4)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.48
NTRK1 P04629 1/20 0.48
APP P05067 1/20 0.45
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
EGFR P00533 2/20 0.41
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
PDE2A O00408 1/20 0.39

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
SCHEMBL2212445 0.91 IGF1R (0.46) IGF1RNTRK1APPCCNA2CDK2
SCHEMBL2208325 0.89 APP (0.42) IGF1RNTRK1APPCCNA2CDK2
SCHEMBL2211405 0.87 APP (0.42) IGF1RNTRK1APPKDRPDE2A
SCHEMBL2207390 0.82 NTRK1 (0.44) IGF1RNTRK1APPSMN1; SMN2MEN1
SCHEMBL2210092 0.82 IGF1R (0.37) IGF1RNTRK1CCNA2CDK2CCNA1
SCHEMBL2211885 0.80 NTRK1 (0.40) IGF1RNTRK1PDE2ACCNT1CDK9
SCHEMBL2512128 0.79 SMN1; SMN2 (0.34) IGF1RCDK2SMN1; SMN2MEN1KMT2A
SCHEMBL2210309 0.75 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AGAANPSR1
SCHEMBL2209654 0.75 IGF1R (0.44) IGF1RSMN1; SMN2MEN1KMT2AGAA
SCHEMBL2211363 0.73 HRH4 (0.38) IGF1RSMN1; SMN2MEN1KMT2AHTT

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 131/4885NTRK1 3/4885APP 3181/4885
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 IGF1R 131/4885NTRK1 3/4885APP 3181/4885

“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.