SCHEMBL4286812

SCHEMBL4286812

NC1=NC(N)(c2ccc3cn[nH]c3c2)C=CN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
NOS1 P29475 4/20 0.43
METAP2 P50579 3/20 0.43
DYRK1A Q13627 2/20 0.43
CHEK1 O14757 1/20 0.38
FGFR1 P11362 6/20 0.37
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ROCK2 O75116 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
ROCK1 Q13464 1/20 0.36
NEK2 P51955 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
SCHEMBL4121853 0.89 ROCK2 (0.46) MAPTKDM4EMEN1KMT2APKM
SCHEMBL4292713 0.73 TAAR1 (0.35) KDM4EALDH1A1TDP1HPGDRAB9A
SCHEMBL1171624 0.71 MAPT (0.47) MAPTKDM4EMEN1KMT2APKM
SCHEMBL2846013 0.71 BACE1 (0.42) KMT2ALMNACYP2D6CYP2C9BLM
SCHEMBL4277498 0.70 MAPT (0.46) MAPTKDM4EMEN1KMT2APKM
SCHEMBL29559746 0.65 MAPT (1.00) MAPTKDM4EMEN1KMT2APKM
SCHEMBL177260 0.65 MAPT (1.00) MAPTKDM4EMEN1KMT2APKM
Bromide SCHEMBL2933643 0.64 MAPT (0.96) MAPTKDM4EMEN1KMT2APKM
Hydrochloric Acid SCHEMBL2925515 0.64 MAPT (0.96) MAPTKDM4EMEN1KMT2APKM
Hydrochloric Acid SCHEMBL3871258 0.64 MAPT (0.96) MAPTKDM4EMEN1KMT2APKM

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 MAPT 3800/4885KDM4E 1842/4885MEN1 3158/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT MAPT 3707/4885KDM4E 2160/4885MEN1 3425/4885

“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.