Sugi Predict

Sugi Predict / Compounds / SCHEMBL3750423

SCHEMBL3750423

SCHEMBL3750423

CCn1c(C(=O)O)cc2cc(OC)ncc21

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 4/20 0.58
▸ ACSS2 Q9NR19 1/20 0.46
▸ CCR9 P51686 4/20 0.44
▸ CCR2 P41597 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ TSPO P30536 1/20 0.38
▸ SRD5A1 P18405 1/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ LYN P07948 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ BTK Q06187 1/20 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
SCHEMBL7688499 0.81 CCR9 (0.43) GPR35ACSS2CCR9CCR2KDM4E
SCHEMBL701697 0.80 GPR35 (0.65) GPR35CCR9CCR2KDM4EALDH1A1
SCHEMBL28848963 0.79 KDM4E (0.40) GPR35ACSS2CCR9CCR2KDM4E
SCHEMBL30405839 0.75 GPR35 (0.58) GPR35CCR9CCR2KDM4EALDH1A1
SCHEMBL18247515 0.74 CCR2 (0.64) GPR35CCR9CCR2KDM4EALDH1A1
SCHEMBL700814 0.74 KDM4E (0.67) GPR35CCR9CCR2KDM4EALDH1A1
SCHEMBL14702784 0.74 GPR35 (1.00) GPR35CCR9CCR2KDM4EALDH1A1
SCHEMBL3760444 0.74 GPR35 (0.47) GPR35ACSS2CCR2KDM4EALDH1A1
SCHEMBL12085751 0.72 GPR35 (0.55) GPR35CCR9CCR2KDM4EALDH1A1
SCHEMBL15552489 0.72 GPR35 (0.44) GPR35CCR9CCR2KDM4EALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10039755-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2018-08-07 — — US disclosed
US-10039755-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2018-08-07 — — US disclosed
US-20180161316-A1 2-(AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS GLAXO GROUP LIMITED (GB) 2018-06-14 — — US disclosed
US-20180161316-A1 2-(AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS GLAXO GROUP LIMITED (GB) 2018-06-14 — — US disclosed
US-9833449-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2017-12-05 — — US disclosed
US-9833449-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2017-12-05 — — US disclosed
US-20170119750-A1 2- (AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS GLAXO GROUP LIMITED (GB) 2017-05-04 — — US disclosed
US-20170119750-A1 2- (AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS GLAXO GROUP LIMITED (GB) 2017-05-04 — — US disclosed
US-20170119750-A1 2- (AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS GLAXO GROUP LIMITED (GB) 2017-05-04 — — US disclosed
US-9518054-B2 2-(azaindol-2-yl) benz imidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2016-12-13 — — US disclosed
US-9127003-B2 2-(azaindol-2-yl)benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2015-09-08 — — US disclosed
US-9127003-B2 2-(azaindol-2-yl)benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2015-09-08 — — US disclosed
US-9127003-B2 2-(azaindol-2-yl)benzimidazoles as PAD4 inhibitors GLAXO GROUP LIMITED (GB) 2015-09-08 — — US disclosed
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS Glaxo Group Limited a corporation 2015-06-25 — — US disclosed
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS Glaxo Group Limited a corporation 2015-06-25 — — US disclosed
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS Glaxo Group Limited a corporation 2015-06-25 — — US disclosed
EP-2877467-A1 2 - (AZAINDOL- 2 -YL) BENZ IMIDAZOLES AS PAD4 INHIBITORS Glaxo Group Limited (GB) 2015-06-03 — — EP disclosed
WO-2014015905-A1 2 - (AZAINDOL- 2 -YL) BENZ IMIDAZOLES AS PAD4 INHIBITORS GLAXO GROUP LIMITED (GB) 2014-01-30 — — WO disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 — — US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 — — 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 (5 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR GPR35 3812/4885ACSS2 850/4885CCR9 4731/4885
US-10039755-B2 2-(azaindol-2-yl) benzimidazoles as PAD4 inhibitors PADI1, PADI4, PADI2 GPR35 3347/4885ACSS2 526/4885CCR9 152/4885
US-20150175600-A1 2-(AZAINDOL-2-YL)BENZIMIDAZOLES AS PAD4 INHIBITORS PADI1, PADI4, PADI2 GPR35 3388/4885ACSS2 514/4885CCR9 189/4885
US-20180161316-A1 2-(AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS PADI1, PADI4, PADI2 GPR35 3406/4885ACSS2 541/4885CCR9 149/4885
US-20170119750-A1 2- (AZAINDOL-2-YL) BENZIMIDAZOLES AS PAD4 INHIBITORS PADI1, PADI4, PADI2 GPR35 3485/4885ACSS2 582/4885CCR9 167/4885

“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.