SCHEMBL19087099

SCHEMBL19087099

Cc1ncc(-c2ccccn2)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.51
NPY5R Q15761 2/20 0.50
KDM4E B2RXH2 7/20 0.48
LMNA P02545 4/20 0.48
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
METAP1 P53582 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
DOHH Q9BU89 1/20 0.48
P4HTM Q9NXG6 1/20 0.48
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46

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
SCHEMBL5482508 0.78 NPY5R (0.77) NPY5RKDM4ELMNACCR1CCR5
SCHEMBL19077866 0.78 NPY5R (0.47) NPY5RKDM4ELMNACCR1CCR5
SCHEMBL19116703 0.77 NPY5R (0.46) NPY5RKDM4ELMNACCR1CCR5
SCHEMBL24427625 0.76 CYP2A6 (0.50) CYP2A6NPY5RGSK3BCDK5CDK5R1
SCHEMBL16995202 0.75 CYP2A6 (0.53) CYP2A6NPY5RGSK3BHPGDSSMN1; SMN2
SCHEMBL29624537 0.74 KDM4E (0.62) NPY5RKDM4ELMNACCR1CCR5
SCHEMBL1456454 0.74 KDM4E (0.62) NPY5RKDM4ELMNACCR1CCR5
SCHEMBL14668890 0.74 KDM4E (0.50) NPY5RKDM4ELMNACCR1CCR5
SCHEMBL24427624 0.74 CYP2A6 (0.53) CYP2A6NPY5RKDM4ECYP1A2METAP2
SCHEMBL25912429 0.74 CCR1 (0.58) CYP2A6CCR1CCR5CCR8GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 US disclosed
WO-2022135365-A1 DISUBSTITUTED CYCLOPENTANE KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-30 WO disclosed
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 EP disclosed
EP-3792256-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS Incyte Corporation (US) 2021-03-17 EP disclosed
EP-3400221-B1 PYRAZOL / IMIDAZOL SUBSTITUTED PYRIDINES AS PI3K-GAMMA INHIBITORS INCYTE CORP (US) 2020-08-26 EP disclosed
WO-2017120194-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-07-13 WO disclosed
US-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-07-06 US 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-20170190689-A1 PYRIDINE AND PYRIDIMINE COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3CG, PIK3CD, PIK3CB CYP2A6 3191/4885NPY5R 4040/4885KDM4E 2506/4885
US-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 CYP2A6 930/4885NPY5R 873/4885KDM4E 3192/4885

“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.