SCHEMBL4277589

SCHEMBL4277589

NC1=NC(N)(c2ccc(-c3cnco3)cc2)C=CN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PKM P14618 2/20 0.42
NOTUM Q6P988 1/20 0.42
GAA P10253 1/20 0.42
PTK2 Q05397 1/20 0.41
KEAP1 Q14145 1/20 0.39
MAP4K4 O95819 1/20 0.38
HDAC4 P56524 2/20 0.38
CYP2D6 P10635 2/20 0.38
HDAC3 O15379 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
LTA4H P09960 1/20 0.37
CYP11B1 P15538 1/20 0.35

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
SCHEMBL884936 0.77 PDK2 (0.40) MAP4K4CYP11B1CYP11B2IMPDH2IMPDH1
SCHEMBL2846013 0.73 BACE1 (0.42) LMNACYP2D6CYP2C9KMT2APOLB
SCHEMBL4286563 0.72 GRM4 (0.35)
SCHEMBL4292713 0.72 TAAR1 (0.35) CYP2C19RAB9AKDM4EALDH1A1
SCHEMBL4277595 0.71 KEAP1 (0.42) LMNAPKMNOTUMGAAPTK2
SCHEMBL10768177 0.69 PKM (0.78) LMNAPKMNOTUMGAAPTK2
SCHEMBL4286923 0.69 TRPA1 (0.40) LMNACYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL1160951 0.68 PKM (0.64) LMNAPKMNOTUMGAAPTK2
SCHEMBL6854088 0.64 PKM (0.55) LMNAPKMNOTUMGAAPTK2
SCHEMBL15013310 0.64 LMNA (0.64) LMNAPKMNOTUMGAAPTK2

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-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US claimed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT LMNA 1834/4885PKM 2409/4885NOTUM 1424/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT LMNA 1671/4885PKM 2562/4885NOTUM 1385/4885

“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.