SCHEMBL5598933

SCHEMBL5598933

O=c1cc[nH]c2cc(Cl)ncc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HSD17B10 Q99714 1/20 0.45
CCR8 P51685 1/20 0.41
KMT2A Q03164 1/20 0.39
IMPDH2 P12268 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39

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
SCHEMBL29545224 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10CCR8KMT2AIMPDH2
SCHEMBL19153714 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10CCR8KMT2AIMPDH2
SCHEMBL23877252 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10CCR8KMT2AIMPDH2
SCHEMBL2210861 0.76 IMPDH2 (0.47) ALDH1A1HSD17B10CCR8IMPDH2GABRP
SCHEMBL18239041 0.76 ALDH1A1 (0.45) ALDH1A1HSD17B10CCR8KMT2AIMPDH2
SCHEMBL25429483 0.76 ALDH1A1 (0.45) ALDH1A1HSD17B10CCR8KMT2AIMPDH2
SCHEMBL18256831 0.76 ALDH1A1 (0.45) ALDH1A1HSD17B10CCR8KMT2AIMPDH2
SCHEMBL12338439 0.75 ALDH1A1 (0.65) ALDH1A1HSD17B10CCR8KMT2AIMPDH2
SCHEMBL29433499 0.75 AHR (0.50) ALDH1A1HSD17B10KMT2AGABRPGABRD
SCHEMBL1233148 0.75 AHR (0.50) ALDH1A1HSD17B10KMT2AGABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299369-B1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-11-11 EP disclosed
EP-3299369-B1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2020-11-11 EP disclosed
CN-107709320-B Pyrido-nitrogen heterocyclic compound and preparation method and application thereof 中国科学院上海药物研究所 2020-11-06 CN disclosed
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 US disclosed
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 US disclosed
US-20180244667-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-08-30 US disclosed
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP disclosed
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP disclosed
CN-106279147-A A kind of pyrido nitrogen heterocyclic and its production and use 中国科学院上海药物研究所 2017-01-04 CN disclosed
WO-2016184434-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF 中国科学院上海药物研究所 2016-11-24 WO disclosed
WO-2007113565-A1 NAPHTHYRIDINE DERIVATIVES AS ANTI-CANCER AGENTS ASTRAZENECA AB (SE) 2007-10-11 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-20180244667-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF MET, MERTK, DMPK ALDH1A1 2733/4885HSD17B10 4285/4885CCR8 2460/4885
US-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK ALDH1A1 2733/4885HSD17B10 4285/4885CCR8 2460/4885

“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.