SCHEMBL3942722

SCHEMBL3942722

CC(C)c1cc(N)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
P2RX3 P56373 11/20 0.37
P2RX2 Q9UBL9 11/20 0.37
DHFR P00374 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
SCHEMBL29214464 0.83 NOS3 (0.34) NOS3NOS1NOS2DHFR
SCHEMBL29910000 0.80 GABRA1 (0.38) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL2737356 0.80 NOS3 (0.56) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL17953260 0.80 GABRA1 (0.38) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL23434930 0.78 GABRA1 (0.43) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL31145117 0.78 KMT2A (0.54) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL19880443 0.78 P2RX3 (0.35) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL12191685 0.78 JAK2 (0.38) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL29347856 0.78 KMT2A (0.54) NOS3NOS1NOS2P2RX3P2RX2
SCHEMBL115578 0.75 PIK3R1 (0.40) P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4725282-A LOW VISCOSITY; STORAGE STABILITY WELLA AKTIENGESELLSCHAFT (DE) 1988-02-16 US claimed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 US disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 CN disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 US disclosed
EP-3774739-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RaQualia Pharma Inc. (JP) 2021-02-17 EP disclosed
CN-111868037-A Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2020-10-30 CN disclosed
WO-2019198692-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2019-10-17 WO disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
US-4725282-A LOW VISCOSITY; STORAGE STABILITY WELLA AKTIENGESELLSCHAFT (DE) 1988-02-16 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 (2 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-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH NOS3 1614/4885NOS1 2176/4885NOS2 1129/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH NOS3 1614/4885NOS1 2176/4885NOS2 1129/4885

“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.