SCHEMBL7538490

SCHEMBL7538490

ClCc1cc2cnccc2cc1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
CLK1 P49759 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HASPIN Q8TF76 2/20 0.34
IMPDH2 P12268 2/20 0.34
IKBKB O14920 2/20 0.34
ROCK2 O75116 3/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 1/20 0.32
PRMT3 O60678 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL31055067 0.70 CHUK (0.38) CYP3A4IMPDH2ROCK2ALDH1A1CYP1A2
SCHEMBL21903950 0.70 CHUK (0.38) CYP3A4IMPDH2ROCK2ALDH1A1CYP1A2
SCHEMBL27192425 0.70 CYP3A4 (0.39) CYP3A4IMPDH2ALDH1A1CYP1A2CYP2D6
SCHEMBL29890282 0.70 AGTR1 (0.40) CYP3A4KMT2A
SCHEMBL26933317 0.70 AGTR1 (0.40) CYP3A4KMT2A
SCHEMBL7220068 0.66 HIPK2 (0.33) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL23501224 0.64 ABL1 (0.43) CYP3A4ALDH1A1CYP1A2SMN1; SMN2NAMPT
SCHEMBL445029 0.63 CLK1 (0.52) CYP3A4CLK1CYP11B1CYP11B2HASPIN
SCHEMBL14658340 0.63 ADRA2A (0.39) CYP3A4CYP11B1CYP11B2CYP1A2CYP2D6
SCHEMBL28179030 0.63 ALDH1A1 (0.46) CYP3A4ALDH1A1CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 CYP3A4 745/4885MRGPRX4 1225/4885CLK1 1709/4885

“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.