SCHEMBL19915972

SCHEMBL19915972

Clc1c(-c2ccccc2)ccc2cncn12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.54
CYP11B2 P19099 3/20 0.40
CYP11B1 P15538 2/20 0.37
EED O75530 1/20 0.36
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
TBXAS1 P24557 1/20 0.36
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CHEK1 O14757 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
LIMK1 P53667 1/20 0.35
MAPK14 Q16539 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRD9 Q9H8M2 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
SCHEMBL19915978 0.79 IDO1 (0.54) IDO1CYP11B2EEDKDM4E
SCHEMBL19915718 0.79 IDO1 (0.64) IDO1CYP11B2CYP11B1EEDTBXAS1
SCHEMBL21060527 0.77 IDO1 (0.66) IDO1CYP11B2EEDTBXAS1
SCHEMBL19915973 0.76 IDO1 (0.64) IDO1CYP11B2EEDTBXAS1
SCHEMBL19915855 0.76 IDO1 (0.55) IDO1CYP11B2TBXAS1
SCHEMBL19915819 0.76 IDO1 (0.52) IDO1CYP11B2CYP11B1EEDTBXAS1
SCHEMBL19915827 0.73 IDO1 (0.54) IDO1CYP11B2EEDTBXAS1BRD9
SCHEMBL21120859 0.72 IDO1 (0.71) IDO1CYP11B2EEDTBXAS1BRD9
SCHEMBL19915724 0.72 IDO1 (0.64) IDO1CYP11B2EEDTBXAS1BRD9
SCHEMBL19915639 0.72 IDO1 (0.63) IDO1TBXAS1

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
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
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
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-2018036414-A1 FUSED HETEROCYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2018-03-01 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 IDO1 1/4885CYP11B2 45/4885CYP11B1 55/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT IDO1 1/4885CYP11B2 45/4885CYP11B1 55/4885

“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.