SCHEMBL3245740

SCHEMBL3245740

[CH2]c1ccc(CN(C)Cc2ccc(-c3cncnc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.42
JAK1 P23458 1/20 0.41
ATM Q13315 1/20 0.38
PYCR1 P32322 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
EPHB4 P54760 2/20 0.37
TEK Q02763 2/20 0.37
KDR P35968 1/20 0.37
GRM2 Q14416 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
LSS P48449 1/20 0.34
MAPK1 P28482 1/20 0.34
PRMT6 Q96LA8 1/20 0.34

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
SCHEMBL3243661 0.85 PSMB5 (0.42) JAK1ATMTAAR1CHRNB2CHRNA4
SCHEMBL3236491 0.83 SMN1; SMN2 (0.46) HRH3PYCR1TAAR1LSS
SCHEMBL448352 0.80 ATM (0.56) ATMEPHB4TEKKDRGRM2
SCHEMBL6852160 0.74 ATM (0.50) ATMEPHB4TEKKDRGRM2
SCHEMBL3242981 0.73 ADRB2 (0.49) HRH3PYCR1TAAR1
SCHEMBL3239914 0.73 CHRNB2 (0.67) CHRNB2CHRNA4MAPK1
SCHEMBL3242409 0.72 ALDH1A1 (0.54) HRH3PYCR1TAAR1PRMT6
SCHEMBL3233011 0.72 EPHX2 (0.52) CHRNB2CHRNA4MAPK1PRMT6
SCHEMBL3235955 0.71 PYCR1 (0.41) PYCR1CHRNB2CHRNA4
SCHEMBL3245741 0.71 PRKCI (0.50) HRH3TAAR1PRMT6

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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 HRH3 2578/4885JAK1 2033/4885ATM 2713/4885

“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.