SCHEMBL22277334

SCHEMBL22277334

COc1cc(Cc2cnc(N)nc2N)n(C)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.51
MEN1 O00255 1/20 0.51
SLC22A1 O15245 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL22277739 0.88 DHFR (0.51) DHFR
SCHEMBL22277786 0.86 DHFR (0.52) DHFR
SCHEMBL22277789 0.84 DHFR (0.49) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL22277336 0.83 DHFR (0.51) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL22277742 0.82 DHFR (0.48) DHFR
SCHEMBL22277788 0.80 DHFR (0.51) DHFR
SCHEMBL22277760 0.80 DHFR (0.51) DHFR
SCHEMBL22277337 0.74 DHFR (0.50) DHFR
SCHEMBL11555328 0.72 P2RX3 (0.81) DHFRMEN1SLC22A1ALDH1A1CYP3A4
SCHEMBL22277790 0.72 DHFR (0.51) DHFRMEN1SLC22A1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11591315-B2 Substituted pyrazole-pyrimidines, variants thereof, and uses therefore MERCK SHARP & DOHME LLC (US) 2023-02-28 US disclosed
US-20210171505-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE Afferent Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
US-10988460-B2 Substituted pyrazole-pyrimidines, variants thereof, and uses therefore Afferent Pharmaceuticals, Inc. (US) 2021-04-27 US disclosed
US-20200239451-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE Afferent Pharmaceuticals, Inc. (US) 2020-07-30 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 (4 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-11591315-B2 Substituted pyrazole-pyrimidines, variants thereof, and uses therefore P2RX3, P2RX5, P2RX1 DHFR 1898/4885MEN1 4685/4885SLC22A1 2399/4885
US-20210171505-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE P2RX3, P2RX5, P2RX1 DHFR 1898/4885MEN1 4685/4885SLC22A1 2399/4885
US-20200239451-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE P2RX3, P2RX5, P2RX1 DHFR 2085/4885MEN1 4680/4885SLC22A1 2452/4885
US-10988460-B2 Substituted pyrazole-pyrimidines, variants thereof, and uses therefore P2RX3, P2RX5, P2RX1 DHFR 2085/4885MEN1 4680/4885SLC22A1 2452/4885

“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.