SCHEMBL20064754

SCHEMBL20064754

CCc1cc(C(=O)O)nc2cc(-c3ccc4nc(C)ccc4c3)nn12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 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
SCHEMBL20064698 0.89 MAPT (0.41) MAPTGAANPC1RAB9APOLB
SCHEMBL20064753 0.84 MET (0.45) NPC1RAB9APOLBKDM4E
SCHEMBL20064751 0.82 KDM4E (0.40) MAPTGAAKDM4EALDH1A1
SCHEMBL20064769 0.81 MCL1 (0.50) MAPTGAANPC1RAB9AKDM4E
SCHEMBL20065176 0.80 HPGD (0.47) MAPTGAANPC1RAB9AKDM4E
SCHEMBL20064790 0.80 FYN (0.40) RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL20064792 0.80 DRD5 (0.42) NPC1KDM4EALDH1A1
SCHEMBL20073865 0.79 HPGD (0.37) GAAKDM4EALDH1A1HPGD
SCHEMBL20064760 0.79 FYN (0.43) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL20064766 0.78 KDM4E (0.35) MAPTGAANPC1RAB9APOLB

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 AKR1C3 3410/4885AKR1C2 3542/4885MAPT 3325/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP AKR1C3 3410/4885AKR1C2 3542/4885MAPT 3325/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP AKR1C3 3410/4885AKR1C2 3542/4885MAPT 3325/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP AKR1C3 3410/4885AKR1C2 3542/4885MAPT 3325/4885
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP AKR1C3 3410/4885AKR1C2 3542/4885MAPT 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.