SCHEMBL13190235

SCHEMBL13190235

C=Nc1ccc(CN(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.56
▸ NOS1 P29475 2/20 0.55
▸ NOS3 P29474 1/20 0.55
▸ NOS2 P35228 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ TAAR1 Q96RJ0 2/20 0.48
▸ HDAC3 O15379 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ GSR P00390 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ BRD4 O60885 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
SCHEMBL659509 0.80 HRH3 (0.82) HRH3NOS1NOS3NOS2ALDH1A1
SCHEMBL28015584 0.74 TSHR (0.63) HRH3NOS1NOS3NOS2ALDH1A1
SCHEMBL8721643 0.74 TSHR (0.64) HRH3NOS1NOS3NOS2ALDH1A1
SCHEMBL12955721 0.73 PLAU (0.52) ALDH1A1TSHRTAAR1LMNACYP2C9
SCHEMBL21723686 0.73 HRH3 (0.64) HRH3NOS1NOS3NOS2ALDH1A1
SCHEMBL3771308 0.73 HRH3 (0.64) HRH3NOS1NOS3NOS2ALDH1A1
SCHEMBL14257317 0.72 P2RY6 (0.61) HRH3NOS1NOS3NOS2ALDH1A1
SCHEMBL19126548 0.72 HRH3 (0.50) HRH3NOS1NOS3NOS2ALDH1A1
SCHEMBL12679031 0.72 HRH3 (1.00) HRH3NOS1NOS3NOS2ALDH1A1
SCHEMBL13364828 0.72 CYP3A4 (0.48) NOS1NOS3NOS2ALDH1A1TSHR

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
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 — — WO disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 — — 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-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS HRH3 876/4885NOS1 3503/4885NOS3 4096/4885

“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.

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