SCHEMBL16730289

SCHEMBL16730289

Cc1cc(N2CCC=C(N3CCOCC3)C2=O)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGMN Q99538 3/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ GAA P10253 3/20 0.42
▸ RAD52 P43351 1/20 0.40
▸ MAPT P10636 10/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ NPC1 O15118 3/20 0.37

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
SCHEMBL17576245 0.83 AKR1C3 (0.44) SMN1; SMN2GAAMAPTALDH1A1KMT2A
SCHEMBL16730298 0.82 MAPT (0.51) SMN1; SMN2MAPTALDH1A1KDM4EHTT
SCHEMBL15731795 0.81 PIK3R1 (0.39) LGMNSMN1; SMN2GAAMAPTALDH1A1
SCHEMBL16730291 0.81 ALDH1A1 (0.50) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL6330031 0.80 KMT2A (0.49) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL16730288 0.78 ALDH1A1 (0.53) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL15628318 0.78 F10 (0.47) —
SCHEMBL78755 0.78 LGMN (0.67) LGMNSMN1; SMN2GAARAD52MAPT
SCHEMBL16730424 0.78 ALDH1A1 (0.49) SMN1; SMN2MAPTALDH1A1KMT2AMEN1
SCHEMBL20050092 0.78 ALDH1A1 (0.42) LGMNSMN1; SMN2GAAMAPTALDH1A1

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 LGMN 2308/4885SMN1; SMN2 4528/4885GAA 1794/4885

“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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