Sugi Predict

Sugi Predict / Compounds / SCHEMBL2210092

SCHEMBL2210092

SCHEMBL2210092

Cc1ccccc1CNc1nc(N)nn2ccc(-c3cc(C4CC4)[nH]n3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 8/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ EIF2AK1 Q9BQI3 1/20 0.35
▸ NTRK1 P04629 3/20 0.35
▸ PRKCI P41743 1/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL2211885 0.89 NTRK1 (0.40) IGF1RPDE2ANTRK1NTRK3NTRK2
SCHEMBL2210651 0.86 IGF1R (0.42) IGF1RHRH4NTRK1DRD2DRD4
SCHEMBL2208325 0.86 APP (0.42) IGF1RMAPK1HRH4PDE2ANTRK1
SCHEMBL2207390 0.83 NTRK1 (0.44) IGF1RHRH4HRH3NTRK1PRKCI
SCHEMBL2211405 0.82 APP (0.42) IGF1RHRH4PDE2ANTRK1
SCHEMBL2212445 0.82 IGF1R (0.46) IGF1RHRH4PDE2ANTRK1CCNA2
SCHEMBL2211032 0.82 IGF1R (0.48) IGF1RPDE2ANTRK1CCNA2CDK2
SCHEMBL2512128 0.81 SMN1; SMN2 (0.34) IGF1RMAPK1PRKCICDK2DRD2
SCHEMBL2209654 0.79 IGF1R (0.44) IGF1RMAPK1MEN1LMNACYP1A2
SCHEMBL2210309 0.77 SMN1; SMN2 (0.41) MAPK1DRD2DRD4DRD3MEN1

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 131/4885MAPK1 365/4885HRH4 3373/4885
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 IGF1R 131/4885MAPK1 365/4885HRH4 3373/4885

“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.