SCHEMBL20064792

SCHEMBL20064792

CCc1cc(C(=O)O)nc2cc(-c3ccc4[nH]ccc4c3)nn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD5 P21918 1/20 0.42
PTGS2 P35354 1/20 0.40
DYRK3 O43781 4/20 0.40
CCNT1 O60563 4/20 0.40
CDK9 P50750 4/20 0.40
CDK5 Q00535 4/20 0.40
DYRK1A Q13627 4/20 0.40
CDK5R1 Q15078 4/20 0.40
DYRK2 Q92630 4/20 0.40
DYRK1B Q9Y463 4/20 0.40
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
GLO1 Q04760 1/20 0.38
UBA1 P22314 1/20 0.38
UBE2E1 P51965 1/20 0.38
NPC1 O15118 1/20 0.37
VCP P55072 1/20 0.37
METAP2 P50579 1/20 0.37
PIK3CA P42336 1/20 0.37
FYN P06241 1/20 0.36

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
SCHEMBL20064697 0.88 MAPT (0.43) DYRK3CCNT1CDK9CDK5DYRK1A
SCHEMBL20073865 0.86 HPGD (0.37) PIK3CAKDM4EALDH1A1
SCHEMBL20064766 0.83 KDM4E (0.35) NPC1KDM4EALDH1A1
SCHEMBL20064769 0.82 MCL1 (0.50) NPC1KDM4EALDH1A1MCL1
SCHEMBL20064790 0.81 FYN (0.40) FYNKDM4EALDH1A1
SCHEMBL20064751 0.81 KDM4E (0.40) FYNKDM4EALDH1A1
SCHEMBL20065172 0.80 HPGD (0.48) UBA1UBE2E1NPC1KDM4EALDH1A1
SCHEMBL20064760 0.80 FYN (0.43) PIK3CAFYNKDM4EALDH1A1
SCHEMBL20064754 0.80 AKR1C3 (0.38) NPC1KDM4EALDH1A1
SCHEMBL20064753 0.79 MET (0.45) NPC1KDM4EMCL1

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 DRD5 2383/4885PTGS2 2867/4885DYRK3 3665/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP DRD5 2383/4885PTGS2 2867/4885DYRK3 3665/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP DRD5 2383/4885PTGS2 2867/4885DYRK3 3665/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP DRD5 2383/4885PTGS2 2867/4885DYRK3 3665/4885
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP DRD5 2383/4885PTGS2 2867/4885DYRK3 3665/4885

“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.