SCHEMBL915798

SCHEMBL915798

Clc1nc(Nc2cc(C3CC3)n[nH]2)n2cccc2n1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
ROCK2 O75116 1/20 0.30
PIM1 P11309 1/20 0.30
GSK3B P49841 1/20 0.30
AURKB Q96GD4 1/20 0.30

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
SCHEMBL916719 0.82 POLB (0.36) ROCK2
SCHEMBL3920946 0.81 KMT2A (0.33)
SCHEMBL3923615 0.81 PAK1 (0.40) PIM1
SCHEMBL1268810 0.80 IGF1R (0.44)
SCHEMBL916585 0.80
SCHEMBL3928070 0.80 ROCK2 (0.37) DRD2DRD4DRD3ROCK2
SCHEMBL3932218 0.78 DKK1 (0.36) DRD2DRD4DRD3PIM1GSK3B
SCHEMBL3432876 0.78 ALOX5 (0.32) DRD2DRD4DRD3
SCHEMBL3923740 0.78 SMO (0.40)
SCHEMBL3934557 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051980-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
EP-2049542-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-09-19 EP disclosed
US-8268998-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-09-18 US disclosed
US-8212031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-03 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
CN-102015719-A Pyrrolotriazine kinase inhibitors BRISTOL MYERS SQUIBB CO 2011-04-13 CN disclosed
US-20110003821-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-01-06 US disclosed
EP-2262806-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-22 EP disclosed
US-20100081662-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 US disclosed
US-7605160-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
CN-101535312-A Pyrrolotriazine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-09-16 CN disclosed
WO-2009111531-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-11 WO disclosed
EP-2081936-A2 PYRROLOTRIAZINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-07-29 EP disclosed
US-7531539-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-05-12 US disclosed
WO-2008057994-A2 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-15 WO disclosed
US-20080058337-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-03-06 US disclosed
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 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 (5 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 DRD2 3021/4885DRD4 3818/4885DRD3 2702/4885
US-20110245252-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK3, NTRK1 DRD2 3021/4885DRD4 3818/4885DRD3 2702/4885
US-20080058337-A1 PYRROLOTRIAZINE KINASE INHIBITORS NTRK2, NTRK1, NTRK3 DRD2 2957/4885DRD4 3775/4885DRD3 3255/4885
US-20110003821-A1 PYRROLOTRIAZINE KINASE INHIBITORS STK25, MAP3K15, MAP4K2 DRD2 4605/4885DRD4 4781/4885DRD3 4698/4885
US-20080045496-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, NTRK2, NTRK3 DRD2 2943/4885DRD4 3651/4885DRD3 1854/4885

“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.