SCHEMBL18673579

SCHEMBL18673579

Cc1cccc(-n2nc(C(N)=O)c3cc(OCCBr)ccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 9/20 0.49
▸ SCN9A Q15858 2/20 0.43
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ ELANE P08246 2/20 0.40
▸ RIPK2 O43353 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL16517361 0.88 MAP3K14 (0.47) MAP3K14SCN9ARAB9ASMN1; SMN2
SCHEMBL18673470 0.85 MAP3K14 (0.65) MAP3K14SCN9ASMN1; SMN2KDM4E
SCHEMBL18888148 0.83 MAP3K14 (0.67) MAP3K14RAB9ASMN1; SMN2KDM4E
SCHEMBL16516433 0.74 MAP3K14 (0.63) MAP3K14SCN9ASMN1; SMN2KDM4EGAA
SCHEMBL16516438 0.73 MAP3K14 (0.56) MAP3K14SCN9AELANERIPK2RAB9A
SCHEMBL16517529 0.72 MAP3K14 (0.65) MAP3K14KDM4E
SCHEMBL18673435 0.67 ELANE (0.66) ELANESMN1; SMN2
SCHEMBL16516647 0.67 MAP3K14 (0.59) MAP3K14SCN9A
SCHEMBL30022821 0.67 GAA (0.56) CCNA2CDK2CCNA1ELANERIPK2
SCHEMBL18673502 0.66 ELANE (0.65) SCN9AELANELMNAGAA

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
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — 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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885SCN9A 760/4885CCNA2 1980/4885

“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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