SCHEMBL19618115

SCHEMBL19618115

CCC(C)(C)c1c(F)cccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.40
ACHE P22303 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PSIP1 O75475 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ESR1 P03372 1/20 0.31

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
SCHEMBL22043048 0.87 RIPK1 (0.46) RIPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL17552748 0.87 ACHE (0.43) RIPK1ACHEATMGABRA1GABRB2
SCHEMBL20807053 0.86 RIPK1 (0.39) RIPK1LMNAATMGABRA1GABRB2
SCHEMBL18494712 0.86 TAAR1 (0.40) RIPK1RAB9ASMN1; SMN2KDM4ELMNA
SCHEMBL20806955 0.86 RIPK1 (0.36) RIPK1NPC1RAB9AKDM4EALDH1A1
SCHEMBL22023999 0.82 L3MBTL1 (0.42) ACHENPC1SMN1; SMN2KDM4ELMNA
SCHEMBL21972331 0.82 RIPK1 (0.35) RIPK1ACHESMN1; SMN2KDM4EESR1
SCHEMBL17552742 0.79 RIPK1 (0.40) RIPK1CES2CES1
SCHEMBL25845086 0.79 RIPK1 (0.36) RIPK1ACHEATMGABRA1GABRB2
SCHEMBL22024141 0.78 RIPK1 (0.40) RIPK1KDM4ECES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-20200277436-A1 PROCESS OF MANUFACTURING SURFACTANTS AND LUBRICANTS DOW GLOBAL TECHNOLOGIES LLC 2020-09-03 US disclosed
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2018-01-18 US disclosed
US-9822131-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-11-21 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 (2 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-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 RIPK1 1/4885ACHE 4786/4885NPC1 3814/4885
US-20180015093-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB RIPK1 841/4885ACHE 4878/4885NPC1 3237/4885

“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.