SCHEMBL20160629

SCHEMBL20160629

CN1CC=C(c2ccc(Br)cn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
QDPR P09417 2/20 0.45
WNT3A P56704 1/20 0.41

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
SCHEMBL13490629 0.84 CCR1 (0.48) SLC6A4QDPRWNT3A
SCHEMBL13490635 0.81 QDPR (0.45) QDPRWNT3A
SCHEMBL21038282 0.81 SLC6A4 (0.46) SLC6A4QDPRWNT3A
SCHEMBL13490631 0.81 NAMPT (0.34)
SCHEMBL16283731 0.79 QDPR (0.43) QDPRWNT3A
SCHEMBL13490628 0.79 WNT3A (0.47) QDPRWNT3A
SCHEMBL21614488 0.79 QDPR (0.45) SLC6A4QDPR
SCHEMBL979985 0.79 WNT3A (0.46) WNT3A
SCHEMBL18372250 0.79 NAMPT (0.33) WNT3A
SCHEMBL13591401 0.78 QDPR (0.49) QDPRWNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162879-B2 Pyridopyrimidine derivative, preparation method therefor and medical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2024-12-10 US disclosed
CN-115710266-B Pyridopyrimidine derivative, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2024-09-13 CN disclosed
CN-115362155-B Arylamine derivative, preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-06-18 CN disclosed
CN-115710266-A Pyridopyrimidine derivative, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-02-24 CN disclosed
CN-111094289-B Pyridopyrimidine derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
CN-115362155-A Arylamine derivatives, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-11-18 CN disclosed
EP-3822271-A1 PYRIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-05-19 EP disclosed
WO-2020007275-A1 PYRIDOPYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-01-09 WO disclosed
WO-2018086589-A1 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES 上海海雁医药科技有限公司 2018-05-17 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 (1 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-12162879-B2 Pyridopyrimidine derivative, preparation method therefor and medical use thereof TLR8, TLR7, TLR1 SLC6A4 1928/4885QDPR 414/4885WNT3A 2566/4885

“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.