SCHEMBL3586698

SCHEMBL3586698

CSc1cc(-n2nc(C)cc2N)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK10 P53779 2/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4068367 0.85 POLB (0.53) POLBCYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL752958 0.78 SMN1; SMN2 (0.47) POLBCYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL9970900 0.78 POLB (0.46) POLBCYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL9970872 0.78 POLB (0.46) POLBCYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL3582792 0.78 POLB (0.46) POLBCYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL3595912 0.75 POLB (0.44) POLBCYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL3595915 0.75 MAPT (0.60) POLBCYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL13131246 0.73 POLB (0.45) POLBCYP1A2CYP2C19MAPK1SMN1; SMN2
SCHEMBL21741448 0.70 MAPK10 (0.57) SMN1; SMN2ALDH1A1LMNAMAPK10TSHR
SCHEMBL13741278 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US disclosed
EP-2057146-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-05-13 EP disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 WO disclosed
WO-2008042639-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-04-10 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-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK POLB 2427/4885CYP1A2 4008/4885CYP2C19 4243/4885

“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.