SCHEMBL4464149

SCHEMBL4464149

COc1ccccc1Cc1cnc(N)nc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.62
HTT P42858 1/20 0.62

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
SCHEMBL2450160 0.88 DHFR (0.56) DHFRHTT
SCHEMBL10488894 0.87 DHFR (0.63) DHFRHTT
SCHEMBL1494254 0.85 DHFR (0.56) DHFRHTT
SCHEMBL30215760 0.85 DHFR (0.56) DHFRHTT
SCHEMBL10823014 0.83 DHFR (0.60) DHFRHTT
SCHEMBL11555328 0.83 P2RX3 (0.81) DHFRHTT
SCHEMBL27632116 0.83 DHFR (0.60) DHFRHTT
Hydrochloric Acid SCHEMBL10822627 0.82 DHFR (0.59) DHFRHTT
SCHEMBL11962147 0.81 DHFR (0.65) DHFRHTT
SCHEMBL10488913 0.81 CSF1R (0.68) DHFRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
US-20060142315-A1 Substituted biaryl piperazinyl-pyridine analogues NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2006-06-29 US disclosed
WO-2004082613-A2 2,4-DIAMINO-5-[5’-SUBSTITUTED-BENZYL] PYRIMIDINES AND 2,4-DIAMINO-6-[5’-SUBSTITUTED-BENZYL] QUINAZOLINES DANA FARBER CANCER INSTITUTE (US) 2004-09-30 WO disclosed
EP-0901473-A1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS GYOGYSZERGYAR RT. (HU) 1999-03-17 EP disclosed
WO-1997016429-A1 NOVEL PIPERAZINYLALKYLTHIOPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THE PREPARATION OF THE NOVEL COMPOUNDS EGIS Gyógyszergyár Rt. (HU) 1997-05-09 WO 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 (1 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-20060142315-A1 Substituted biaryl piperazinyl-pyridine analogues DHFR, DPYD, DLD DHFR 1/4885HTT 2114/4885

“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.