SCHEMBL3231804

SCHEMBL3231804

O=C(Nc1ccc(F)c(Nc2nccn2-c2cc(NC3CC3)ncn2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ INSR P06213 5/20 0.47
▸ LCK P06239 5/20 0.47
▸ LYN P07948 5/20 0.47
▸ SRC P12931 5/20 0.47
▸ KDR P35968 5/20 0.47
▸ HCK P08631 4/20 0.47
▸ KCNQ3 O43525 1/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ MAPK14 Q16539 4/20 0.41
▸ S1PR1 P21453 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ CRACR2A Q9BSW2 1/20 0.37

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
SCHEMBL1828708 0.93 KDR (0.43) INSRLCKLYNSRCKDR
SCHEMBL3232951 0.90 LCK (0.56) INSRLCKLYNSRCKDR
SCHEMBL1826791 0.90 HCK (0.46) INSRLCKLYNSRCKDR
SCHEMBL1826797 0.89 INSR (0.46) INSRLCKLYNSRCKDR
SCHEMBL3228166 0.85 HCK (0.49) INSRLCKLYNSRCKDR
SCHEMBL1825857 0.84 KDR (0.48) INSRLCKLYNSRCKDR
SCHEMBL3234868 0.83 HCK (0.44) INSRLCKLYNSRCKDR
SCHEMBL1824965 0.82 LYN (0.58) INSRLCKLYNSRCKDR
SCHEMBL1827464 0.81 LCK (0.69) INSRLCKLYNSRCKDR
SCHEMBL13301979 0.81 LCK (0.54) INSRLCKLYNSRCKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 — — EP claimed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US claimed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 — — US claimed
US-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-24 — — US disclosed
WO-2014172616-A2 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-23 — — WO disclosed
EP-1758892-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-10-17 — — EP disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US disclosed
US-7745437-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2010-06-29 — — US disclosed
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-09-27 — — 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-20160082015-A1 METHODS, COMPOSITIONS AND KITS FOR PROMOTING MOTOR NEURON SURVIVAL AND TREATING AND DIAGNOSING NEURODEGENERATIVE DISORDERS SMN1; SMN2, SOD1, NEFM INSR 4486/4885LCK 4772/4885LYN 4794/4885
US-20070225286-A1 Compounds and Compositions as Protein Kinase Inhibitors BMX, PTK2B, SRC INSR 2395/4885LCK 49/4885LYN 81/4885

“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.

Send feedback