SCHEMBL19915865

SCHEMBL19915865

c1ccc(-c2ccc3cncn3c2CNCC2CCOCC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.80
GSK3B P49841 2/20 0.36
EED O75530 1/20 0.35
KCNH3 Q9ULD8 1/20 0.35
CSF1R P07333 1/20 0.34
FYN P06241 1/20 0.34
MAP4K4 O95819 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PDE8B O95263 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
SCHEMBL19915864 0.89 IDO1 (1.00) IDO1ALDH1A1
SCHEMBL21094895 0.84 IDO1 (0.61) IDO1GSK3B
SCHEMBL19915804 0.78 IDO1 (1.00) IDO1EEDALDH1A1
SCHEMBL19915982 0.75 IDO1 (0.68) IDO1EED
SCHEMBL21120859 0.75 IDO1 (0.71) IDO1EED
SCHEMBL19915828 0.75 IDO1 (1.00) IDO1EEDALDH1A1
SCHEMBL21060527 0.74 IDO1 (0.66) IDO1EED
SCHEMBL19915718 0.70 IDO1 (0.64) IDO1EED
SCHEMBL19915730 0.70 IDO1 (0.78) IDO1
SCHEMBL19915724 0.70 IDO1 (0.64) IDO1EED

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 1/4885GSK3B 939/4885EED 677/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT IDO1 1/4885GSK3B 939/4885EED 677/4885

“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.