SCHEMBL19915732

SCHEMBL19915732

O=C(Nc1ccc(CO)cc1)Nc1c(-c2ccccc2)ccc2cncn12

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.78
PIK3CA P42336 3/20 0.40
MTOR P42345 3/20 0.40
PIK3R1 P27986 1/20 0.40
MAPK9 P45984 1/20 0.40
DYRK1A Q13627 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
PIK3CG P48736 1/20 0.40
CNR1 P21554 1/20 0.38

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
SCHEMBL19915811 0.88 IDO1 (1.00) IDO1PIK3CAMTORPIK3CG
SCHEMBL19915813 0.86 IDO1 (1.00) IDO1
SCHEMBL19915791 0.85 IDO1 (0.81) IDO1CNR1
SCHEMBL19915970 0.84 IDO1 (0.80) IDO1
SCHEMBL19915888 0.84 IDO1 (1.00) IDO1PIK3CAMTORPIK3R1PIK3CG
SCHEMBL19915822 0.83 IDO1 (0.77) IDO1
SCHEMBL29562649 0.82 IDO1 (0.64) IDO1
SCHEMBL19915980 0.82 IDO1 (0.64) IDO1
SCHEMBL19915652 0.82 IDO1 (0.70) IDO1CNR1
SCHEMBL19915728 0.80 IDO1 (0.68) IDO1

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 1/4885PIK3CA 1042/4885MTOR 520/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT IDO1 1/4885PIK3CA 1042/4885MTOR 520/4885

“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.