SCHEMBL2811665

SCHEMBL2811665

O=Cc1ccc2c(Cl)c[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ KIF11 P52732 2/20 0.47
▸ CYP2A6 P11509 5/20 0.46
▸ VCAM1 P19320 1/20 0.40
▸ ALDH1A3 P47895 3/20 0.39
▸ ALDH3A1 P30838 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ TTK P33981 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37
▸ PTGS2 P35354 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35

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
SCHEMBL30587822 0.85 ALDH1A1 (0.48) ALDH1A1KIF11CYP2A6VCAM1ALDH1A3
SCHEMBL4166153 0.85 ALDH1A1 (0.48) ALDH1A1KIF11CYP2A6VCAM1ALDH1A3
SCHEMBL29956305 0.79 CYP2A6 (0.66) ALDH1A1KIF11CYP2A6KDM4EMAPT
SCHEMBL9377060 0.79 CYP2A6 (0.66) ALDH1A1KIF11CYP2A6KDM4EMAPT
SCHEMBL29147512 0.78 KIF11 (0.47) ALDH1A1KIF11CYP2A6ALDH1A3KDM4E
SCHEMBL21623870 0.78 KDM4E (0.48) ALDH1A1KIF11CYP2A6KDM4EMAPT
SCHEMBL19586691 0.78 CYP2A6 (0.50) ALDH1A1KIF11CYP2A6ALDH1A3ALDH3A1
SCHEMBL28878089 0.74 KIF11 (0.44) ALDH1A1KIF11CYP2A6KDM4EMAPT
SCHEMBL22158783 0.73 IMPDH2 (0.54) KIF11CYP2A6HSD17B10TTKIMPDH2
SCHEMBL9372571 0.71 HTR2A (0.45) KIF11CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650985-A Heterocyclic compounds as RET kinase inhibitors 癌症研究科技有限公司 2023-01-31 — — CN disclosed
CN-109195972-B Heterocyclic compounds as RET kinase inhibitors 癌症研究科技有限公司 2022-10-28 — — CN disclosed
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 — — EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 — — US disclosed
US-8680150-B2 Small molecule hematopoietic growth factor mimetic compounds that activate hematopoietic growth factor receptors LIGAND PHARMACEUTICALS, INC. (US) 2014-03-25 — — US disclosed
CN-101679324-B Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2012-10-03 — — CN disclosed
US-20110003851-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS THAT ACTIVATE HEMATOPOIETIC GROWTH FACTOR RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 — — US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 — — EP disclosed
CN-101679324-A Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2010-03-24 — — CN disclosed
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 — — EP disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 — — EP disclosed
WO-2005032472-A2 PYRROLIDINE AND PIPERIDINE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 — — WO disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 — — 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 (2 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 ALDH1A1 2202/4885KIF11 1509/4885CYP2A6 630/4885
US-20110003851-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS THAT ACTIVATE HEMATOPOIETIC GROWTH FACTOR RECEPTORS MPL, CSF3R, CSF1R ALDH1A1 3164/4885KIF11 4185/4885CYP2A6 4472/4885

“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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