SCHEMBL8240685

SCHEMBL8240685

Cc1ccc(-c2nc(Cl)c3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.65
HTT P42858 2/20 0.65
NPC1 O15118 1/20 0.65
XBP1 P17861 1/20 0.65
RAB9A P51151 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
CYP1A2 P05177 2/20 0.64
CYP1A1 P04798 1/20 0.64
CYP1B1 Q16678 1/20 0.64
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 4/20 0.55
MAPT P10636 3/20 0.55
TP53 P04637 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
METAP1 P53582 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GBA1 P04062 1/20 0.52

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
SCHEMBL16404333 0.91 METAP1 (0.61) ATMHTTNPC1XBP1RAB9A
SCHEMBL25463096 0.87 MEN1 (0.57) ATMHTTNPC1XBP1RAB9A
SCHEMBL17275213 0.87 METAP1 (0.57) ATMHTTNPC1XBP1RAB9A
SCHEMBL384799 0.87 METAP1 (0.61) ATMHTTLMNAABCG2METAP1
SCHEMBL29593068 0.86 ATM (0.59) ATMHTTNPC1XBP1RAB9A
SCHEMBL4847197 0.86 ATM (0.59) ATMHTTNPC1XBP1RAB9A
SCHEMBL22360436 0.83 METAP1 (0.50) ATMHTTNPC1XBP1RAB9A
SCHEMBL5793174 0.83 CYP1B1 (0.64) ATMHTTNPC1XBP1RAB9A
SCHEMBL31009730 0.83 ABCG2 (0.58) CYP1A2KDM4EALDH1A1LMNAMAPT
SCHEMBL4840414 0.83 ABCG2 (0.58) CYP1A2KDM4EALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3998951-A Substituted 2-arylquinazolines as fungicides FMC CORPORATION (US) 1976-12-21 US claimed
US-10087148-B2 Quinazolines as biogenic amine transport modulators THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTE OF HEALTH (US) 2018-10-02 US disclosed
EP-3226868-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS Ananthan, Subramaniam (US) 2017-10-11 EP disclosed
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US disclosed
WO-2016090299-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 WO disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
WO-2007071055-A1 COMPOSITIONS AND METHODS FOR MODULATING GATED ION CHANNELS PAINCEPTOR PHARMA CORPORATION (CA) 2007-06-28 WO disclosed
US-3998951-A Substituted 2-arylquinazolines as fungicides FMC CORPORATION (US) 1976-12-21 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 (3 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-10087148-B2 Quinazolines as biogenic amine transport modulators SLC18A2, SLC6A2, SLC6A3 ATM 2138/4885HTT 272/4885NPC1 686/4885
US-20160159751-A1 NOVEL QUINAZOLINES AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 ATM 2253/4885HTT 277/4885NPC1 738/4885
US-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 ATM 4677/4885HTT 462/4885NPC1 1516/4885

“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.