SCHEMBL18198637

SCHEMBL18198637

COC(=O)c1cc(O)n2nc(-c3ccc(Br)cc3)cc2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 7/20 0.48
TP53 P04637 3/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
SLC6A3 Q01959 1/20 0.41
MCL1 Q07820 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL23953854 0.87 ALDH1A1 (0.45) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL18198478 0.86 ALDH1A1 (0.44) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL18198532 0.86 NPC1 (0.48) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL18198452 0.83 KDM4E (0.38) MAPTTP53KMT2AKDM4EALDH1A1
SCHEMBL18198638 0.83 ALKBH5 (0.46) RAB9AMAPTKMT2AMEN1KDM4E
SCHEMBL25252390 0.82 KDM4E (0.40) MAPTTP53KMT2AKDM4EALDH1A1
SCHEMBL20064739 0.81 ABCB1 (0.46) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL18198480 0.78 KDM4E (0.35) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL12465752 0.77 MEN1 (0.53) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL20064713 0.76 KDM4E (0.43) RAB9AMAPTKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288942-B1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-10-27 EP disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 US disclosed
WO-2016174079-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2016-11-03 WO 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-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP NPC1 2620/4885RAB9A 1227/4885MAPT 3325/4885

“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.