SCHEMBL10356673

SCHEMBL10356673

Cc1cnc2c(c1)Cc1cc(C)c(C)cc1-2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CNR2 P34972 1/20 0.32
▸ SMO Q99835 1/20 0.31
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL12306482 0.82 CCR1 (0.39) PDK2CCR1CCR5CCR8NOS3
SCHEMBL26266853 0.77 KMT2A (0.33) PDK2CCR1CCR5CCR8NOS3
SCHEMBL10356735 0.76 CCR1 (0.34) CCR1CCR5CCR8NOS3NOS1
SCHEMBL27241020 0.76 CYP17A1 (0.41) PDK2CCR1CCR5CCR8KMT2A
SCHEMBL26267081 0.74 CCR1 (0.35) PDK2CCR1CCR5CCR8NOS3
SCHEMBL10356375 0.74 MAPT (0.40) PDK2KMT2AKDM4EALDH1A1POLB
SCHEMBL10356404 0.73 KDM4E (0.33) KMT2AKDM4EALDH1A1POLBGAA
SCHEMBL10356671 0.73 UHRF1 (0.38) NOS3NOS1NOS2ALDH1A1GAA
SCHEMBL10356400 0.73 KDM4E (0.41) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL25983070 0.73 CYP2A6 (0.40) PDK2CCR1CCR8NOS3NOS1

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
US-8378340-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-02-19 — — US disclosed
US-20120238765-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-20 — — US disclosed
US-8222426-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-17 — — US disclosed
US-7842941-B2 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 — — US disclosed
US-20100256396-A1 AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-07 — — US disclosed
US-20070063190-A1 Aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-22 — — 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 (3 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-20100256396-A1 AROMATIC COMPOUND AHR, AR, NR0B1 PDK2 4575/4885CCR1 544/4885CCR5 1086/4885
US-20070063190-A1 Aromatic compound AHR, AR, NR0B1 PDK2 4573/4885CCR1 610/4885CCR5 1211/4885
US-20120238765-A1 AROMATIC COMPOUND AHR, AR, NR0B1 PDK2 4575/4885CCR1 544/4885CCR5 1086/4885

“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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