SCHEMBL16949265

SCHEMBL16949265

CC(C)(C)COc1cnc2[nH]cc(/C=C/C(N)=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 18/20 0.59
▸ TAB1 Q15750 18/20 0.59
▸ MTNR1A P48039 1/20 0.38
▸ MTNR1B P49286 1/20 0.38
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL18238757 1.00 MAP3K7 (0.59) MAP3K7TAB1MTNR1AMTNR1BMEN1
SCHEMBL18238764 0.92 MAP3K7 (0.60) MAP3K7TAB1MTNR1AMTNR1BMEN1
SCHEMBL16948727 0.92 MAP3K7 (0.60) MAP3K7TAB1MTNR1AMTNR1BMEN1
SCHEMBL16932974 0.81 MAP3K7 (0.58) MAP3K7TAB1MTNR1AMTNR1B
SCHEMBL16932976 0.81 MAP3K7 (0.58) MAP3K7TAB1MTNR1AMTNR1B
SCHEMBL18238366 0.80 MAP3K7 (0.54) MAP3K7TAB1
SCHEMBL16945169 0.80 MAP3K7 (0.54) MAP3K7TAB1
SCHEMBL18238387 0.80 MAP3K7 (0.51) MAP3K7TAB1MTNR1AMTNR1B
SCHEMBL16948719 0.80 MAP3K7 (0.51) MAP3K7TAB1MTNR1AMTNR1B
SCHEMBL18238176 0.80 MAP3K7 (0.48) MAP3K7TAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
US-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
US-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES ACLARIS THERAPEUTICS, INC. 2015-07-30 — — 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-20150210705-A1 SUBSTITUTED PYRROLOPYRIDINES AND PYRROLOPYRAZINES FOR TREATING CANCER OR INFLAMMATORY DISEASES TPMT, MALT1, IRAK4 MAP3K7 152/4885TAB1 861/4885MTNR1A 3000/4885

“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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