SCHEMBL18888148

SCHEMBL18888148

Cc1cccc(-n2nc(C(N)=O)c3cc(OCCN4CCOCC4)ccc32)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 3/20 0.67
▸ SIGMAR1 Q99720 2/20 0.47
▸ FGFR1 P11362 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ CHUK O15111 2/20 0.45
▸ INSR P06213 2/20 0.45
▸ MAPK8 P45983 2/20 0.45
▸ CAMKK2 Q96RR4 2/20 0.45
▸ AURKA O14965 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK12 P53778 1/20 0.45
▸ MAPK11 Q15759 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL18673470 0.92 MAP3K14 (0.65) MAP3K14KDM4EL3MBTL1TSHRALDH1A1
SCHEMBL16517529 0.90 MAP3K14 (0.65) MAP3K14SIGMAR1FGFR1SRCCHUK
SCHEMBL18888087 0.84 MAP3K14 (0.75) MAP3K14
SCHEMBL18673579 0.83 MAP3K14 (0.49) MAP3K14KDM4ERAB9ASMN1; SMN2
SCHEMBL16516433 0.81 MAP3K14 (0.63) MAP3K14KDM4ETSHRALDH1A1SMN1; SMN2
SCHEMBL16534161 0.81 MAP3K14 (1.00) MAP3K14
SCHEMBL16532335 0.81 MAP3K14 (1.00) MAP3K14
SCHEMBL16517635 0.73 MAP3K14 (1.00) MAP3K14
SCHEMBL16517632 0.73 MAP3K14 (1.00) MAP3K14
SCHEMBL259183 0.73 KDM4E (0.63) KDM4EL3MBTL1TP53TSHRHSD17B10

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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — 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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885SIGMAR1 986/4885FGFR1 1421/4885

“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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