SCHEMBL6884740

SCHEMBL6884740

CN1N=CCC1c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.57
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
NPEPPS P55786 1/20 0.38
OPRK1 P41145 2/20 0.36
CASP1 P29466 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CXCR4 P61073 1/20 0.34

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
SCHEMBL15780167 0.79 RIPK1 (0.54) RIPK1ALDH1A1MAPTNPEPPSNPC1
SCHEMBL28971796 0.76 RIPK1 (0.53) RIPK1ALDH1A1MAPTNPEPPSNPC1
SCHEMBL9380053 0.74 RIPK1 (0.53) RIPK1ALDH1A1
SCHEMBL18248409 0.73 RIPK1 (1.00) RIPK1
SCHEMBL18248219 0.73 RIPK1 (1.00) RIPK1
SCHEMBL23808158 0.73 RIPK1 (0.68) RIPK1ALDH1A1MAPTNPC1RAB9A
SCHEMBL25694238 0.72 RIPK1 (0.62) RIPK1ALDH1A1
SCHEMBL16007554 0.70 RIPK1 (0.45) RIPK1ALDH1A1MAPTNPEPPSCASP1
SCHEMBL6883630 0.69 RIPK1 (0.54) RIPK1MAPT
SCHEMBL14235834 0.69 CHRNB2 (0.56) ALDH1A1MAPT

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
US-9422244-B2 Synthesis of substituted pyrazoline carboxamidine derivatives ABBVIE BAHAMAS LTD. (BS) 2016-08-23 US disclosed
US-9422244-B2 Synthesis of substituted pyrazoline carboxamidine derivatives ABBVIE BAHAMAS LTD. (BS) 2016-08-23 US disclosed
US-20130060041-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HOSPITALS LIMITED (BS) 2013-03-07 US disclosed
WO-2011092226-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-08-04 WO disclosed
US-7728018-B2 for treating disease or condition chosen from Parkinson's disease, Huntington's chorea, schizophrenia, anxiety, depression, manic depression, psychoses, epilepsy, obsessive compulsive disorders, mood disorders, migraine, Alzheimer's disease, age related cognitive decline, sleep, eating disorders SOLVAY PHARMACEUTICALS B.V. (NL) 2010-06-01 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 (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-20130060041-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES HTR6, HTR5A, HTR4 RIPK1 2043/4885ALDH1A1 1275/4885MAPT 2636/4885

“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.