SCHEMBL13554607

SCHEMBL13554607

O=C(Nc1cccnc1)Nc1ccc(I)c(-c2nccc3ccccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ MAPT P10636 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ TP53 P04637 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ IMPDH2 P12268 1/20 0.46
▸ RAB9A P51151 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HTR2B P41595 1/20 0.45

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
SCHEMBL13552995 0.87 MEN1 (0.54) MEN1KMT2AMAPTLMNAATM
SCHEMBL13554596 0.86 RAB9A (0.58) MEN1KMT2AMAPTLMNANPC1
SCHEMBL13554788 0.85 KMT2A (0.45) MEN1KMT2AMAPTLMNANPC1
SCHEMBL13554611 0.84 NPC1 (0.51) MEN1KMT2AMAPTLMNATSHR
SCHEMBL13554594 0.81 LMNA (0.49) KMT2AMAPTLMNATSHRNPC1
SCHEMBL13554598 0.80 CYP2C9 (0.42) MEN1KMT2AMAPTNPC1TP53
SCHEMBL13554670 0.79 TUBB4A (0.45) MEN1KMT2AMAPTLMNATSHR
SCHEMBL13554597 0.79 GRM4 (0.55) NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL13554793 0.78 HTR1A (0.46) KMT2A
SCHEMBL13554649 0.77 PRKCI (0.52) MEN1KMT2AMAPTNPC1HTT

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-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-10-25 — — 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-20120270858-A1 Isoquinoline, quinoline, and quinazoline derivatives as inhibitors of hedgehog signaling SHH, GLI1, SMO MEN1 1456/4885KMT2A 1798/4885MAPT 2831/4885

“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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