SCHEMBL1710850

SCHEMBL1710850

Cc1cc(Nc2nc(N3CCN(C(=O)c4ccccc4)CC3)nc3cccn23)[nH]n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.49
GBA1 P04062 6/20 0.48
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A7 Q99884 2/20 0.42
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL1722967 0.82 JAK2 (0.42) JAK2ALDH1A1POLBKMT2A
SCHEMBL14949776 0.80 JAK2 (0.48) JAK2
SCHEMBL13429505 0.78 JAK2 (0.75) JAK2
SCHEMBL3931669 0.75 NAPEPLD (0.39) POLB
SCHEMBL3926786 0.74 CKS1B (0.39) POLBMEN1KMT2AMCHR1
SCHEMBL3933859 0.74 NUDT1 (0.39) POLB
SCHEMBL3932948 0.73 JAK2 (0.40) JAK2ALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL3925912 0.72 PDE9A (0.34) ALDH1A1
SCHEMBL3926065 0.72 PIK3CB (0.36) ALDH1A1TSHRPOLB
SCHEMBL3920946 0.72 KMT2A (0.33) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344504-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-04 EP disclosed
US-8445676-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-21 US disclosed
US-20110294816-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-12-01 US disclosed
EP-2344504-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-07-20 EP disclosed
WO-2010042684-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 WO 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-20110294816-A1 PYRROLOTRIAZINE KINASE INHIBITORS JAK2, CSNK2A1, CSNK2A2 JAK2 1/4885GBA1 2647/4885ALDH1A1 2990/4885

“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.