SCHEMBL1546076

SCHEMBL1546076

C1CCC2CNCCC2NC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.36
HTR2C P28335 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL10594 0.93 EPAS1 (0.33) EPAS1HTR2C
SCHEMBL26123900 0.91 MBTD1 (0.35) EPAS1
Hydrochloric Acid SCHEMBL28169201 0.91 EPAS1 (0.32) EPAS1HTR2C
SCHEMBL20121932 0.90 CXCR4 (0.31) EPAS1ALDH1A1
SCHEMBL5680966 0.89 EPAS1 (0.35) EPAS1
SCHEMBL20256032 0.89 EPAS1 (0.35) EPAS1HTR2CALDH1A1
SCHEMBL2273760 0.84 MBTD1 (0.40)
SCHEMBL13351747 0.84 MBTD1 (0.36) EPAS1
SCHEMBL9142378 0.84 MBTD1 (0.40)
SCHEMBL943033 0.84 EPAS1 (0.33) EPAS1HTR2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3012249-A1 COMPOUNDS AND COMPOSITION AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2016-04-27 EP disclosed
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-04-16 US disclosed
US-8957081-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2015-02-17 US disclosed
US-8399450-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-03-19 US disclosed
US-8377921-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-02-19 US disclosed
US-8372858-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-02-12 US disclosed
US-20130005748-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-01-03 US disclosed
EP-2537830-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-12-26 EP disclosed
US-20110257154-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-20110257155-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-8039479-B2 Such as 6-{5-Chloro-4-[2-(propane-2-sulfonyl)-phenylamino]-pyrimidin-2-ylamino}-5-isopropoxy-2-piperidin-4-yl-2,3-dihydro-isoindol-1-one; tumors, cancer; inhibition of anaplastic lymphoma, focal adhesion, zeta chain associated protein 70 and/or insulin like growth factor IRM LLC (BM) 2011-10-18 US disclosed
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-04 US disclosed
EP-2311807-A1 Compounds and composition as protein kinase inhibitors IRM LLC (BM) 2011-04-20 EP disclosed
EP-2091918-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-08-26 EP disclosed
US-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-07-24 US disclosed
WO-2008073687-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-06-19 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 (6 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-20080176881-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 EPAS1 1490/4885HTR2C 4403/4885ALDH1A1 2982/4885
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 EPAS1 1490/4885HTR2C 4403/4885ALDH1A1 2982/4885
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 EPAS1 1490/4885HTR2C 4403/4885ALDH1A1 2982/4885
US-20110257154-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 EPAS1 1490/4885HTR2C 4403/4885ALDH1A1 2982/4885
US-20110257155-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 EPAS1 1490/4885HTR2C 4403/4885ALDH1A1 2982/4885
US-20130005748-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 EPAS1 1490/4885HTR2C 4403/4885ALDH1A1 2982/4885

“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.