SCHEMBL6385162

SCHEMBL6385162

Cc1ccnc(NN)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.52
NOS3 P29474 5/20 0.52
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 4/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAOA P21397 1/20 0.33
PTGS1 P23219 1/20 0.33
OPRM1 P35372 1/20 0.33
KCNH2 Q12809 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOS1 P29475 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL13208006 0.79 NOS2 (0.48) NOS2NOS3CCR1CCR5CCR8
SCHEMBL2260685 0.78 NOS2 (0.39) NOS2NOS3CCR1CCR5CCR8
SCHEMBL21598402 0.78 NOS2 (0.39) NOS2NOS3CCR1CCR5CCR8
SCHEMBL27375177 0.78 CCNE1 (0.35) NOS2NOS3MAPTL3MBTL1KDM4E
SCHEMBL1223757 0.78 NOS2 (0.39) NOS2NOS3CCR1CCR5CCR8
SCHEMBL14691453 0.78 NOS2 (0.39) NOS2NOS3CCR1CCR5CCR8
SCHEMBL21713526 0.78 NOS3 (0.34) NOS2NOS3MAPTL3MBTL1KDM4E
SCHEMBL21713631 0.78 NOS3 (0.34) NOS2NOS3MAPTL3MBTL1KDM4E
SCHEMBL13208131 0.77 NOS2 (0.46) NOS2NOS3CCR1CCR5CCR8
SCHEMBL11915865 0.74 NOS2 (0.43) NOS2NOS3CCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102456-A Azaquinazoline inhibitors of atypical protein kinase C IGNYTA INC 2015-11-25 CN claimed
US-20050209297-A1 Pyrazole derivatives PFIZER INC 2005-09-22 US claimed
US-20240228476-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-11 US disclosed
EP-3833662-B1 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2024-01-17 EP disclosed
CN-116157392-A Compounds targeting RNA binding proteins or RNA modification proteins 雷多纳治疗公司 2023-05-23 CN disclosed
CN-114302878-A Tyrosine kinase non-receptor 1(TNK1) inhibitors and uses thereof 大日本住友制药肿瘤公司 2022-04-08 CN disclosed
CN-107548301-B Composition containing menthol as soothing agent 西姆莱斯股份公司 2021-05-11 CN disclosed
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US disclosed
EP-3686199-A1 FUSED RING DERIVATIVE AS A2A RECEPTOR INHIBITOR CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2020-07-29 EP disclosed
WO-2020041169-A2 INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-27 WO disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 US disclosed
CN-107548301-A Contain composition of the menthol as soothing agent 西姆莱斯股份公司 2018-01-05 CN disclosed
CN-101687790-B Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBVIE INC 2015-02-11 CN disclosed
CN-101687790-A Heterocyclic compounds as positive modulators of metabotropic glutamate receptor 2(MGLU2 receptor) ABBOTT GMBH & CO KG 2010-03-31 CN disclosed
US-20020103185-A1 Pyrazole derivatives PFIZER PRODUCTS INC. 2002-08-01 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 (5 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-20050209297-A1 Pyrazole derivatives CDK1, CDK3, CDK5 NOS2 2607/4885NOS3 639/4885CCR1 1140/4885
US-20240228476-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE PTPN2, PTPN22, PTPN1 NOS2 3281/4885NOS3 4303/4885CCR1 2219/4885
US-20020103185-A1 Pyrazole derivatives CDK1, CDK5, CDK3 NOS2 3078/4885NOS3 979/4885CCR1 1308/4885
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 NOS2 385/4885NOS3 444/4885CCR1 2342/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 NOS2 385/4885NOS3 444/4885CCR1 2342/4885

“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.