SCHEMBL22277340

SCHEMBL22277340

Cc1cc(Cc2cnc(N)nc2N)n(C(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.47
P2RX3 P56373 2/20 0.45
P2RX2 Q9UBL9 2/20 0.45

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
SCHEMBL22277341 0.86 DHFR (0.50) DHFRP2RX3P2RX2
SCHEMBL22277745 0.84 DHFR (0.48) DHFR
SCHEMBL22277336 0.83 DHFR (0.51) DHFRP2RX3P2RX2
SCHEMBL22277790 0.82 DHFR (0.51) DHFRP2RX3P2RX2
SCHEMBL22277338 0.82 DHFR (0.48) DHFRP2RX3P2RX2
SCHEMBL22277742 0.82 DHFR (0.48) DHFR
SCHEMBL22277748 0.80 DHFR (0.48) DHFR
SCHEMBL22277760 0.74 DHFR (0.51) DHFRP2RX3P2RX2
SCHEMBL23278758 0.74 DHFR (0.39) DHFRP2RX3P2RX2
SCHEMBL22277732 0.73 DHFR (0.50) DHFRP2RX3P2RX2

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 1898/4885P2RX3 1/4885P2RX2 4/4885
US-20210171505-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE P2RX3, P2RX5, P2RX1 DHFR 1898/4885P2RX3 1/4885P2RX2 4/4885
US-20200239451-A1 SUBSTITUTED PYRAZOLE-PYRIMIDINES, VARIANTS THEREOF, AND USES THEREFORE P2RX3, P2RX5, P2RX1 DHFR 2085/4885P2RX3 1/4885P2RX2 4/4885
US-10988460-B2 Substituted pyrazole-pyrimidines, variants thereof, and uses therefore P2RX3, P2RX5, P2RX1 DHFR 2085/4885P2RX3 1/4885P2RX2 4/4885

“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.