SCHEMBL637008

SCHEMBL637008

Nc1cccc2cncc(N)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 3/20 0.39
KEAP1 Q14145 1/20 0.39
JAK2 O60674 1/20 0.38
RPS6KA3 P51812 1/20 0.38
MELK Q14680 1/20 0.38
STK24 Q9Y6E0 1/20 0.38
PRKCZ Q05513 1/20 0.36
TYMS P04818 1/20 0.36
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL31732851 1.00 CYP3A4 (0.50) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL998210 0.81 CYP3A4 (0.46) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL30065660 0.81 CYP3A4 (0.46) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL27191914 0.81 CYP1A2 (0.41) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL2002397 0.81 CYP3A4 (0.46) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL5657552 0.81 CYP3A4 (0.46) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL27192076 0.81 CYP1A2 (0.41) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL17301339 0.81 BACE1 (0.41) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL17278414 0.81 CYP3A4 (0.41) CYP3A4LMNACYP1A2CYP2D6CYP2C9
SCHEMBL4531509 0.81 CYP3A4 (0.46) CYP3A4LMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235112-B1 SYNTHESIS OF DYES IN MIXING UNITS BASF SE (DE) 2014-03-12 EP disclosed
US-8551237-B2 Synthesis of colorants in mixing apparatus BASF SE (DE) 2013-10-08 US disclosed
US-8334386-B2 Aqueous synthesis of perylene pigments BASF SE (DE) 2012-12-18 US disclosed
EP-2176356-B1 AQUEOUS SYNTHESIS OF PERYLENE PIGMENTS BASF SE (DE) 2012-02-22 EP disclosed
US-20100242792-A1 SYNTHESIS OF COLORANTS IN MIXING APPARATUS BASF SE (DE) 2010-09-30 US disclosed
US-20100184983-A1 AQUEOUS SYNTHESIS OF PERYLENE PIGMENTS BASF SE (DE) 2010-07-22 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 (2 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-20100242792-A1 SYNTHESIS OF COLORANTS IN MIXING APPARATUS DDC, AOC1, DAO CYP3A4 773/4885LMNA 1001/4885CYP1A2 1094/4885
US-20100184983-A1 AQUEOUS SYNTHESIS OF PERYLENE PIGMENTS F12, XDH, TYR CYP3A4 255/4885LMNA 220/4885CYP1A2 22/4885

“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.