SCHEMBL908075

SCHEMBL908075

NC1=NN(c2cccc(F)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.66
PTGS1 P23219 1/20 0.66
PTGS2 P35354 1/20 0.66
ABL1 P00519 1/20 0.55
C1S P09871 1/20 0.41
BPTF Q12830 1/20 0.40
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
KEAP1 Q14145 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
NOTUM Q6P988 1/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GLA P06280 1/20 0.38
MAPK1 P28482 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
SCHEMBL13387644 0.80 ALOX5 (0.43) ALOX5PTGS1PTGS2ABL1C1S
SCHEMBL7721910 0.80 ALOX5 (0.61) ALOX5PTGS1PTGS2ABL1MGLL
SCHEMBL907934 0.80 ABL1 (0.64) ALOX5PTGS1PTGS2ABL1MAPT
SCHEMBL7719095 0.80 ALOX5 (0.61) ALOX5PTGS1PTGS2ABL1C1S
SCHEMBL11368286 0.80 ALOX5 (0.61) ALOX5PTGS1PTGS2ABL1MAPT
Bw-755C SCHEMBL30088397 0.80 ALOX5 (1.00) ALOX5PTGS1PTGS2ABL1NOTUM
Bw-755C SCHEMBL2573191 0.80 ALOX5 (1.00) ALOX5PTGS1PTGS2ABL1NOTUM
SCHEMBL7717944 0.79 ABL1 (0.57) ALOX5PTGS1PTGS2ABL1MAPT
Bw-755C SCHEMBL1040411 0.78 ALOX5 (0.97) ALOX5PTGS1PTGS2ABL1NOTUM
SCHEMBL7719905 0.78 ALOX5 (0.58) ALOX5PTGS1PTGS2ABL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases MERCK SHARP & DOHME LIMITED (GB) 2011-01-06 US claimed
EP-1987007-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LTD. (GB) 2008-11-05 EP claimed
WO-2007093829-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LIMITED (GB) 2007-08-23 WO claimed
US-6387136-B1 OXIDATION COLOR DYES AND COUPLER L'OREAL S.A. (FR) 2002-05-14 US claimed
EP-0974337-B1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit OREAL (FR) 2001-03-21 EP claimed
EP-0974337-A1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit L'OREAL (FR) 2000-01-26 EP claimed
US-4451479-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1984-05-29 US claimed
US-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases MERCK SHARP & DOHME LIMITED (GB) 2011-01-06 US disclosed
EP-1987007-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LTD. (GB) 2008-11-05 EP disclosed
WO-2007093829-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LIMITED (GB) 2007-08-23 WO disclosed
US-6387136-B1 OXIDATION COLOR DYES AND COUPLER L'OREAL S.A. (FR) 2002-05-14 US disclosed
EP-0974337-B1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit OREAL (FR) 2001-03-21 EP disclosed
EP-0974337-A1 Keratinous fibre dyeing compositions containing 3-amino pyrazoline derivatives as coupling agents, process for dyeing and dyeing kit L'OREAL (FR) 2000-01-26 EP disclosed
US-4451479-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1984-05-29 US disclosed
EP-0070376-A1 Heterocyclic substituted-amino-pyrazolines AMERICAN CYANAMID COMPANY (US) 1983-01-26 EP 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-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases DAO, DDO, MAOA ALOX5 1140/4885PTGS1 1991/4885PTGS2 2364/4885

“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.