SCHEMBL16730431

SCHEMBL16730431

COc1cc(N)ccc1N1CCC=C(N2CCOCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NR4A1 P22736 1/20 0.41
▸ PRKDC P78527 6/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ RAF1 P04049 1/20 0.36

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
SCHEMBL16730286 0.85 MAPT (0.46) MAPTGAASMN1; SMN2NR4A1PRKDC
SCHEMBL16730432 0.83 SLC6A5 (0.48) MAPTSMN1; SMN2ALDH1A1
SCHEMBL16730433 0.81 ALDH1A1 (0.41) MAPTGAASMN1; SMN2ALDH1A1ALOX15
SCHEMBL77893 0.80 GAA (0.61) MAPTGAASMN1; SMN2NR4A1PRKDC
SCHEMBL20630912 0.79 GAA (0.59) MAPTGAASMN1; SMN2NR4A1PRKDC
SCHEMBL15731795 0.77 PIK3R1 (0.39) MAPTGAASMN1; SMN2HSD17B10PIK3CA
SCHEMBL16730429 0.75 MAPT (0.49) MAPTSMN1; SMN2PIK3CAPIK3CDPIK3CB
SCHEMBL6332008 0.72 SLC6A5 (0.41) MAPTSMN1; SMN2PRKDCALDH1A1ALOX15
SCHEMBL519902 0.72 MAPT (0.57) MAPTGAASMN1; SMN2NR4A1PRKDC
SCHEMBL29833266 0.72 MAPT (0.57) MAPTGAASMN1; SMN2NR4A1PRKDC

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-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
EP-3072892-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Chengdu Easton Biopharmaceuticals Co., Ltd. (CN) 2016-09-28 — — EP disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
WO-2015070809-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF 成都苑东药业有限公司 2015-05-21 — — WO 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-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF PEPD, F2, XDH MAPT 4645/4885GAA 1794/4885SMN1; SMN2 4528/4885

“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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