SCHEMBL13199577

SCHEMBL13199577

Cc1cnc2[nH]c(C)c(C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 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
SCHEMBL13199581 0.80 PDK2 (0.41) PDK2PDK4CCR1CCR5CCR8
SCHEMBL1565081 0.80 CHEK1 (0.45)
SCHEMBL13940648 0.80 AHR (0.31)
SCHEMBL1773124 0.80 EGFR (0.36)
SCHEMBL8326471 0.77 KDM4E (0.33)
SCHEMBL25302317 0.76 PDK2 (0.30) PDK2PDK4
SCHEMBL8326499 0.76 EGFR (0.43)
SCHEMBL27392500 0.76 JAK1 (0.31)
SCHEMBL8325679 0.76 EGFR (0.40)
SCHEMBL1773186 0.73 IDO1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed
US-20210253571-A1 AZAINDOLE DERIVATIVE AND USE THEREOF AS FGFR AND C-MET INHIBITOR WUXI LIFE FOUNTAIN BIOTECH CO., LTD (CN) 2021-08-19 US disclosed
EP-3825314-A1 AZAINDOLE DERIVATIVE AND USE THEREOF AS FGFR AND C-MET INHIBITOR Medshine Discovery Inc. (CN) 2021-05-26 EP disclosed
WO-2021072487-A1 SULFONAMIDE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT OF CANCER TroBio Therapeutics Pty Ltd (AU) 2021-04-22 WO disclosed
WO-2020015744-A1 AZAINDOLE DERIVATIVE AND USE THEREOF AS FGFR AND C-MET INHIBITOR 南京明德新药研发有限公司 2020-01-23 WO disclosed
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-7772246-B2 Pyrazole compounds as RAF inhibitors PFIZER INC. (US) 2010-08-10 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
US-20090221608-A1 PYRAZOLE COMPOUNDS PFIZER INC. 2009-09-03 US disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 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 (3 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-20090221608-A1 PYRAZOLE COMPOUNDS BRAF, RAF1, NRAS PDK2 77/4885PDK4 217/4885CCR1 2595/4885
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP3K13, WEE2 PDK2 366/4885PDK4 536/4885CCR1 4632/4885
US-20210253571-A1 AZAINDOLE DERIVATIVE AND USE THEREOF AS FGFR AND C-MET INHIBITOR MET, FGFR1, FGFR2 PDK2 1267/4885PDK4 1519/4885CCR1 2713/4885

“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.