SCHEMBL19636346

SCHEMBL19636346

CNC(=O)c1cc2ccc(N3CCCN(C)CC3)nc2n2c1nc1cc(F)c(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.38
▸ TP53 P04637 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PDE2A O00408 6/20 0.36
▸ PDE10A Q9Y233 6/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HRH4 Q9H3N8 3/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ HSD17B14 Q9BPX1 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ HTR3A P46098 2/20 0.34
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ HTR3D Q70Z44 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
SCHEMBL18042607 0.90 PARP1 (0.39) PARP1TP53MAPTRAB9AKDM4E
SCHEMBL17254940 0.87 ALDH1A1 (0.43) PARP1PDE2APDE10AKDM4EALDH1A1
SCHEMBL18042568 0.86 HRH4 (0.47) PARP1TP53MAPTRAB9APDE2A
SCHEMBL18042561 0.84 PPARG (0.42) PARP1KDM4EALDH1A1HRH4HRH3
SCHEMBL17254992 0.83 KDM4E (0.46) PARP1PDE2APDE10AKDM4EALDH1A1
SCHEMBL18057412 0.81 FGFR1 (0.36) KDM4EALDH1A1HRH4HRH3HTR3A
SCHEMBL18057559 0.81 ALDH1A1 (0.41) PARP1PDE10AKDM4EALDH1A1HRH4
SCHEMBL18057436 0.80 MEN1 (0.34) TP53MAPTRAB9APDE10AKDM4E
SCHEMBL17255008 0.80 ALDH1A1 (0.41) PARP1PDE10AKDM4EALDH1A1HRH4
SCHEMBL17255052 0.80 ALDH1A1 (0.43) PARP1PDE10AKDM4EALDH1A1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951066-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2018-04-24 — — US disclosed
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2017-11-23 — — 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-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PARP1 218/4885TP53 33/4885MAPT 4105/4885

“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.

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