SCHEMBL17840964

SCHEMBL17840964

c1cnc2ccncc2c1.c1cnc2cnccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
EGFR P00533 1/20 0.45
NPC1 O15118 3/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 4/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 3/20 0.41
CASP1 P29466 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
TP53 P04637 2/20 0.41
HSP90AA1 P07900 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
NR4A2 P43354 1/20 0.41
HSP90AB1 P08238 1/20 0.41

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
Quinoline SCHEMBL27569771 0.96 ALDH1A1 (0.63) ALDH1A1EGFRNPC1POLBRAB9A
SCHEMBL29397488 0.92 ALDH1A1 (0.58) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL30087475 0.92 ALDH1A1 (0.58) ALDH1A1EGFRNPC1POLBRAB9A
SCHEMBL30917351 0.92 ALDH1A1 (0.58) ALDH1A1EGFRNPC1POLBRAB9A
SCHEMBL139749 0.92 ALDH1A1 (0.58) ALDH1A1EGFRNPC1POLBRAB9A
SCHEMBL89126 0.92 ALDH1A1 (0.58) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL31469070 0.92 ALDH1A1 (0.58) ALDH1A1NPC1POLBRAB9AKDM4E
SCHEMBL29551004 0.92 ALDH1A1 (0.58) ALDH1A1NPC1POLBRAB9AKDM4E
Phthalazine SCHEMBL27834854 0.91 ALDH1A1 (0.52) ALDH1A1EGFRNPC1POLBRAB9A
Piperazine SCHEMBL27691237 0.90 ALDH1A1 (0.46) ALDH1A1EGFRNPC1POLBRAB9A

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-10077244-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2018-09-18 US disclosed
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2016-06-23 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 (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-10077244-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ALDH1A1 1746/4885EGFR 3529/4885NPC1 1175/4885
US-20160176830-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD ALDH1A1 1746/4885EGFR 3529/4885NPC1 1175/4885

“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.