SCHEMBL19915804

SCHEMBL19915804

c1ccc(CNCc2c(-c3ccccc3)ccc3cncn23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 1.00
EED O75530 2/20 0.39
ALDH1A1 P00352 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NR1I3 Q14994 1/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
ADRA2C P18825 1/20 0.34

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
SCHEMBL19915730 0.88 IDO1 (0.78) IDO1CYP11B1CYP11B2
SCHEMBL19915982 0.81 IDO1 (0.68) IDO1EED
SCHEMBL19915718 0.79 IDO1 (0.64) IDO1EEDCYP11B1CYP11B2
SCHEMBL19915724 0.78 IDO1 (0.64) IDO1EEDCYP11B2
SCHEMBL19915865 0.78 IDO1 (0.80) IDO1EEDALDH1A1
SCHEMBL19915639 0.75 IDO1 (0.63) IDO1
SCHEMBL19915972 0.70 IDO1 (0.54) IDO1EEDALDH1A1CYP11B1CYP11B2
SCHEMBL19915978 0.70 IDO1 (0.54) IDO1EEDCYP11B2MEN1KMT2A
SCHEMBL19915740 0.69 IDO1 (0.58) IDO1ALDH1A1
SCHEMBL19915855 0.67 IDO1 (0.55) IDO1CYP11B2

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 1/4885EED 677/4885ALDH1A1 890/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT IDO1 1/4885EED 677/4885ALDH1A1 890/4885

“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.