SCHEMBL2469737

SCHEMBL2469737

Clc1cc(-c2n[nH]c3c2CN(Cc2ccccc2)CC3)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.41
MAPK1 P28482 5/20 0.40
REV1 Q9UBZ9 1/20 0.40
PNMT P11086 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A5 Q9Y345 1/20 0.38
C5AR1 P21730 1/20 0.38

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
SCHEMBL15225372 0.81 HSP90AA1 (0.50) ACHEMAPK1PNMTSLC6A5
SCHEMBL17877207 0.76 BRD4 (0.56) ACHEMAPK1SLC6A5
SCHEMBL2473215 0.75 P2RX7 (0.42)
SCHEMBL15225663 0.74 HSP90AA1 (0.42)
SCHEMBL15225529 0.72 HSP90AA1 (0.41) MAPK1
SCHEMBL15225276 0.72 HSP90AA1 (0.41) MAPK1
SCHEMBL13825814 0.72 C5AR1 (0.42) ACHEREV1PNMTC5AR1
SCHEMBL15225020 0.72 HSP90AA1 (0.43) MAPK1
SCHEMBL2469909 0.71 HSP90AA1 (0.44)
SCHEMBL15225169 0.71 HSP90AA1 (0.43) MAPK1

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-2370437-B1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-09-04 EP disclosed
US-8309578-B2 Bicyclic pyrazole and isoxazole derivatives as antitumor and antineurodegenerative agents NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-13 US disclosed
US-20110294790-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-12-01 US disclosed
EP-2370437-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS Nerviano Medical Sciences S.r.l. (IT) 2011-10-05 EP disclosed
WO-2010060854-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-03 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-20110294790-A1 BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS HSP90AB1, HSP90AA1, HSP90AB2P ACHE 3637/4885MAPK1 1630/4885REV1 1962/4885

“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.