SCHEMBL3605822

SCHEMBL3605822

Clc1cc(N2CCOCC2)nc(CNCCc2cnc[nH]2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HRH4 Q9H3N8 4/20 0.41
KMT2A Q03164 2/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
SYK P43405 1/20 0.39
HRH3 Q9Y5N1 3/20 0.38
BMPR1B O00238 1/20 0.37
NUAK1 O60285 1/20 0.37
ACVR1 Q04771 1/20 0.37
SIK2 Q9H0K1 1/20 0.37
MTOR P42345 1/20 0.37
MARK3 P27448 2/20 0.36
MARK4 Q96L34 2/20 0.36
STK17A Q9UEE5 2/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CA P42336 2/20 0.36
MEN1 O00255 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
SCHEMBL3604032 0.78 PIK3CB (0.51) MAPTCYP1A2CYP2D6KMT2APIK3CB
SCHEMBL3606593 0.76 ATR (0.43) SYKMTORPIK3CA
SCHEMBL3596067 0.76 KMT2A (0.48) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL3598581 0.76 KMT2A (0.48) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL3610061 0.73 CYP1A2 (0.56) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL3609974 0.73 CYP1A2 (0.52) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL3595766 0.72 PIK3CA (0.51) MAPTCYP1A2CYP2D6KMT2APIK3CB
SCHEMBL3604836 0.72 PIK3CB (0.57) MAPTCYP1A2CYP2D6KMT2APIK3CB
SCHEMBL3598467 0.71 MAPT (0.60) MAPTCYP1A2CYP2D6KMT2ARAF1
SCHEMBL3600627 0.69 MAPT (0.61) MAPTCYP1A2CYP2D6KMT2ARAF1

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-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 MAPT 2195/4885CYP1A2 1185/4885CYP2D6 1107/4885

“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.