SCHEMBL20064797

SCHEMBL20064797

COC(=O)c1cc(-c2cnn(C)c2)n2nc(-c3ccc(Br)cc3F)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.40
PDGFRB P09619 2/20 0.40
KIT P10721 2/20 0.40
FGFR1 P11362 2/20 0.40
FGFR3 P22607 2/20 0.40
FLT3 P36888 2/20 0.40
AXL P30530 1/20 0.36
MERTK Q12866 1/20 0.36
FYN P06241 3/20 0.36
GRM2 Q14416 2/20 0.36
STING1 Q86WV6 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ABL1 P00519 1/20 0.35
CSNK1D P48730 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
SCHEMBL20064815 0.91 STING1 (0.39) NTRK1PDGFRBKITFGFR1FGFR3
Lithium Ion SCHEMBL30477028 0.89 FYN (0.35) NTRK1PDGFRBKITFGFR1FGFR3
SCHEMBL18198452 0.81 KDM4E (0.38) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL20064835 0.81 HPGD (0.49) AXLMERTKKMT2AKDM4EALDH1A1
SCHEMBL18198515 0.80 KDM4E (0.38) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18198335 0.79 ALDH1A1 (0.37) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL18198403 0.79 ABCB1 (0.38) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25834531 0.79 GRM5 (0.38) NTRK1KDM4EALDH1A1HPGDALOX5AP
SCHEMBL25252397 0.79 FYN (0.41) NTRK1PDGFRBKITFGFR1FGFR3
SCHEMBL22491834 0.77 NPC1 (0.44) KMT2AKDM4EALDH1A1HPGDHSD17B10

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
WO-2023125845-A1 HETEROAROMATIC BICYCLIC COMPOUND AND ANTIVIRAL APPLICATION THEREOF 苏州爱科百发生物医药技术有限公司 2023-07-06 WO 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 NTRK1 4139/4885PDGFRB 211/4885KIT 1105/4885
US-20200223855-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP NTRK1 4139/4885PDGFRB 211/4885KIT 1105/4885
US-11084826-B2 RSV antiviral pyrazolo- and triazolo-pyrimidine compounds ZC3HAV1, MAVS, TYMP NTRK1 4139/4885PDGFRB 211/4885KIT 1105/4885
US-20180105529-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP NTRK1 4139/4885PDGFRB 211/4885KIT 1105/4885
US-20190248793-A1 RSV ANTIVIRAL PYRAZOLO- AND TRIAZOLO-PYRIMIDINE COMPOUNDS ZC3HAV1, MAVS, TYMP NTRK1 4139/4885PDGFRB 211/4885KIT 1105/4885

“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.