SCHEMBL20064756

SCHEMBL20064756

CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)ncn4C)nn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
SYK P43405 1/20 0.35
FASN P49327 2/20 0.35
NAMPT P43490 1/20 0.35
KDM2B Q8NHM5 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
IKBKB O14920 2/20 0.35
CHUK O15111 2/20 0.35

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
SCHEMBL18198345 0.88 KMT2A (0.41) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL20065183 0.81 HPGD (0.46) ALDH1A1KMT2AFASNNPC1RAB9A
SCHEMBL20064766 0.80 KDM4E (0.35) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL20064769 0.79 MCL1 (0.50) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL20064768 0.78 NPC1 (0.41) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL20064753 0.78 MET (0.45) NPC1RAB9AKDM4E
SCHEMBL20064751 0.78 KDM4E (0.40) ALDH1A1MAPTKDM4EGAA
SCHEMBL20064790 0.78 FYN (0.40) ALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL20064760 0.77 FYN (0.43) ALDH1A1MAPTHPGDKDM4EHSD17B10
SCHEMBL20064754 0.77 AKR1C3 (0.38) ALDH1A1MAPTKMT2ANPC1RAB9A

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 7 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-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds Janssen Sciences Ireland Unlimited Company (IE) 2021-08-10 US disclosed
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2020-07-16 US disclosed
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2019-08-15 US disclosed
US-10208048-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds JANSSEN SCIENCES IRELAND UC (IE) 2019-02-19 US disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 US disclosed
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS JANSSEN SCIENCES IRELAND UC (IE) 2018-04-19 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 (5 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-10208048-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885MAPT 3325/4885KMT2A 4144/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885MAPT 3325/4885KMT2A 4144/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885MAPT 3325/4885KMT2A 4144/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885MAPT 3325/4885KMT2A 4144/4885
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP ALDH1A1 3193/4885MAPT 3325/4885KMT2A 4144/4885

“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.