SCHEMBL1978331

SCHEMBL1978331

COc1ccc(C(CCN)c2ccc(Br)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 3/20 0.53
HRH1 P35367 1/20 0.47
HTR2A P28223 1/20 0.46
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
MITF O75030 2/20 0.43
MAPK1 P28482 3/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP19A1 P11511 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42

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
SCHEMBL5947827 0.91 KMT2A (0.65) KMT2AMEN1ALDH1A1HRH1MAPT
SCHEMBL10973267 0.86 HRH1 (0.67) KMT2AMEN1ALDH1A1HRH1HTR2A
SCHEMBL4441804 0.83 KMT2A (0.57) KMT2AMEN1ALDH1A1HRH1MAPT
SCHEMBL4435726 0.83 KMT2A (0.61) KMT2AMEN1ALDH1A1HRH1MAPT
Hydrochloric Acid SCHEMBL4440261 0.81 KMT2A (0.56) KMT2AMEN1ALDH1A1HRH1MAPT
SCHEMBL4441454 0.79 MEN1 (0.60) KMT2AMEN1ALDH1A1HRH1MAPT
SCHEMBL4433142 0.79 SLC6A2 (0.55) KMT2AMEN1ALDH1A1HRH1HTR2A
SCHEMBL21131516 0.78 MAOB (0.50) KMT2AMEN1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL4441383 0.78 SLC6A2 (0.54) KMT2AMEN1ALDH1A1HRH1HTR2A
Ethylamine SCHEMBL27381812 0.77 RAB9A (0.55) KMT2AMEN1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247576-B2 Pyrazole derivatives as protein kinase modulators ASTEX THERAPEUTICS LIMITED (GB) 2012-08-21 US disclosed
US-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2011-06-16 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 (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-20110144080-A1 PYRAZOLE DERIVATIVES AS PROTEIN KINASE MODULATORS GRK3, GRK2, NR0B2 KMT2A 1751/4885MEN1 3554/4885ALDH1A1 4135/4885

“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.