SCHEMBL20116703

SCHEMBL20116703

CCOc1ccc(C)nc1Br

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.55
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 3/20 0.43
GRM5 P41594 3/20 0.42
S1PR1 P21453 6/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR3 Q99500 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL27750425 0.85 S1PR4 (0.60) S1PR4KDM4ESMN1; SMN2HPGDGRM5
SCHEMBL17972750 0.80 ALDH1A1 (0.47) S1PR4KDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL4757717 0.79 S1PR4 (0.59) S1PR4KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL14290550 0.79 S1PR4 (0.53) S1PR4KDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL15596189 0.78 HPGD (0.42) S1PR4KDM4EHSD17B10MAPK1SMN1; SMN2
SCHEMBL17460009 0.78 S1PR4 (0.50) S1PR4KDM4EMAPK1SMN1; SMN2HPGD
SCHEMBL3792156 0.77 S1PR4 (0.47) S1PR4KDM4ESMN1; SMN2HPGDMAPT
SCHEMBL3710075 0.77 PTGDR2 (0.49) S1PR4KDM4ESMN1; SMN2HPGDTDP1
SCHEMBL14570536 0.77 S1PR4 (0.49) S1PR4MEN1KMT2A
SCHEMBL2085154 0.76 KDM4E (0.43) S1PR4KDM4EHSD17B10MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109689652-B Fused heterocyclic derivative, preparation method and medical application thereof 北京诺诚健华医药科技有限公司 2022-04-26 CN disclosed
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-06-29 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
EP-3505517-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-03 EP disclosed
EP-3505517-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2019-07-03 EP disclosed
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-20 US disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 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-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, INMT S1PR4 2104/4885KDM4E 298/4885HSD17B10 1034/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT S1PR4 2104/4885KDM4E 298/4885HSD17B10 1034/4885

“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.