SCHEMBL908243

SCHEMBL908243

CC1CN(c2cccc(Cl)c2)N=C1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.43
ALOX5 P09917 2/20 0.43
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 1/20 0.42
ABL1 P00519 3/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN11 Q06124 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39

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
SCHEMBL11369210 0.83 DHFR (0.44) DHFRALOX5MAPTGAAKDM4E
SCHEMBL7719928 0.80 L3MBTL1 (0.40) DHFRALOX5KMT2AMAPTGAA
SCHEMBL11093367 0.79 ABL1 (0.51) ALOX5KMT2AMAPTGAAKDM4E
SCHEMBL10918593 0.78 ALOX5 (0.57) DHFRALOX5MAPTGAAALDH1A1
SCHEMBL11057701 0.76 ABL1 (0.48) ALOX5KMT2AMAPTGAAKDM4E
SCHEMBL10846355 0.73 HTR3E (0.44) ALOX5KMT2AKDM4EALDH1A1MEN1
SCHEMBL19391639 0.72 ALOX5 (0.44) DHFRALOX5KMT2AMAPTGAA
SCHEMBL908503 0.72 ROCK1 (0.40) ALDH1A1SMN1; SMN2PTPN11HTR3A
SCHEMBL907934 0.70 ABL1 (0.64) DHFRALOX5KMT2AMAPTGAA
SCHEMBL11861844 0.70 MAPT (0.49) DHFRALOX5KMT2AMAPTGAA

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 18 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-4451479-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1984-05-29 US claimed
EP-0022578-A1 Pharmaceutical compositions containing 3-Amino-pyrazoline derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-21 EP 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
EP-0022578-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING 3-AMINO-PYRAZOLINE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1988-06-29 EP disclosed
US-4556671-A Pharmaceutical formulations BURROUGHS WELLCOME CO. (US) 1985-12-03 US disclosed
US-4451479-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1984-05-29 US disclosed
US-4448973-A ANTIINFLAMMATORY, ANALGESIC AGENTS; BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1984-05-15 US disclosed
US-4447442-A ANTIINFLAMMATORY, ANTIARTHRITIC, ANTIHISTAMINE, ANTIALLERGENS, ANALGESICS, BACTERICIDES, AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1984-05-08 US disclosed
US-4435493-A Porous reusable ZnO electrophotographic element OCE-NEDERLAND B.V. (NL) 1984-03-06 US disclosed
EP-0070376-A1 Heterocyclic substituted-amino-pyrazolines AMERICAN CYANAMID COMPANY (US) 1983-01-26 EP disclosed
US-4348527-A ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed
US-4268436-A OXIDATIVE DIAZOTIZATION WITH NITROSYLSULFURIC ACID, ALKALINE METAL NITRITES, OR ALKYL NITRITES AZIENDE COLORI NAZIONALI AFFINI ACNA S.P.A. (IT) 1981-05-19 US disclosed
EP-0022578-A1 Pharmaceutical compositions containing 3-Amino-pyrazoline derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-21 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 DHFR 268/4885ALOX5 1140/4885KMT2A 1334/4885

“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.