SCHEMBL5814760

SCHEMBL5814760

Cc1c(NC(=O)Cc2c[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK6 Q92876 1/20 0.55
TSHR P16473 1/20 0.54
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 6/20 0.51
ALDH1A1 P00352 3/20 0.51
PKM P14618 2/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
STAT3 P40763 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL5428767 0.89 MAPT (0.53) KLK6TSHRPOLBMAPTALDH1A1
SCHEMBL5425614 0.88 MAPT (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5429451 0.81 TSHR (0.61) TSHRPOLBMAPTALDH1A1LMNA
SCHEMBL5431770 0.81 NPC1 (0.60) TSHRPOLBMAPTALDH1A1MEN1
SCHEMBL31218207 0.74 HRH3 (0.67) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7807900 0.74 HRH3 (0.67) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL8889137 0.73 MAPT (0.65) CYP1A2POLBCYP3A4CYP2D6CYP2C9
SCHEMBL18229442 0.73 HRH3 (0.69) CYP1A2POLBCYP3A4CYP2D6CYP2C9
SCHEMBL1853622 0.72 LMNA (0.71) MAPTALDH1A1PKMHTTMEN1
SCHEMBL28373040 0.72 MAPT (0.65) CYP1A2POLBCYP3A4CYP2D6CYP2C9

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-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
US-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
EP-1628963-A1 NOVEL UREIDO - AND AMIDO-PYRAZOLONE DERIVATIVES Aston University (GB) 2006-03-01 EP disclosed
WO-2004106306-A1 NOVEL UREIDO - AND AMIDO-PYRAZOLONE DERIVATIVES ASTON UNIVERSITY (GB) 2004-12-09 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-20070185115-A1 Novel ureido-and amido-pyrazolone derivatives CCKAR, CCKBR, GRPR KLK6 3070/4885TSHR 116/4885CYP1A2 2612/4885

“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.