SCHEMBL78242

SCHEMBL78242

N#Cc1ccnc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.56
PRKCI P41743 3/20 0.53
AXL P30530 1/20 0.53
ROCK1 Q13464 4/20 0.47
JAK3 P52333 3/20 0.47
JAK2 O60674 2/20 0.47
PRKACA P17612 2/20 0.47
PRKCQ Q04759 2/20 0.47
AURKB Q96GD4 2/20 0.47
IGF1R P08069 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
DAPK3 O43293 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
FGFR1 P11362 1/20 0.47

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
SCHEMBL11889555 0.90 PRKCI (0.72) LRRK2PRKCIAXLROCK1JAK3
SCHEMBL1330601 0.85 LRRK2 (0.50) LRRK2PRKCIAXLROCK1JAK3
SCHEMBL1327734 0.82 PRKCI (0.44) LRRK2PRKCIAXLROCK1JAK3
SCHEMBL31140724 0.81 PRKCI (0.53) LRRK2PRKCIAXLROCK1JAK3
SCHEMBL1328751 0.81 PRKCI (0.53) LRRK2PRKCIAXLROCK1JAK3
SCHEMBL1329452 0.80 LRRK2 (0.41) LRRK2PRKCIAXLROCK1JAK3
SCHEMBL10125110 0.79 LRRK2 (0.58) LRRK2PRKCIAXLROCK1JAK3
SCHEMBL1329239 0.78 LRRK2 (0.40) LRRK2PRKCIAXLROCK1JAK3
SCHEMBL1327977 0.77 AAK1 (0.46) LRRK2PRKCIAXLROCK1JAK3
SCHEMBL1328722 0.76 AAK1 (0.45) LRRK2PRKCIAXLROCK1JAK3

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 231 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3445762-B1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-09-13 EP claimed
US-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC (CA) 2025-06-05 US disclosed
US-20250136596-A1 MEMBRANE-ASSOCIATED TYROSINE- AND THREONINE-SPECIFIC CDC2-INHIBITORY KINASE (PKMYT1) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2025-05-01 US disclosed
US-20250129021-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS Interdict Bio, Inc. (US) 2025-04-24 US disclosed
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors REPARE THERAPEUTICS INC. (CA) 2025-04-01 US disclosed
WO-2025064718-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS Interdict Bio, Inc. (US) 2025-03-27 WO disclosed
WO-2025040014-A1 FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 英矽智能科技知识产权有限公司 2025-02-27 WO disclosed
EP-4479403-A1 MEMBRANE-ASSOCIATED TYROSINE-AND THREONINE-SPECIFIC CDC2-INHIBITORY KINASE (PKMYT1) INHIBITORS AND USES THEREOF Insilico Medicine IP Limited (HK) 2024-12-25 EP disclosed
CN-114341127-B Aminopyrazine compounds as HPK1 inhibitors and uses thereof 百济神州有限公司 2024-12-17 CN disclosed
CN-118900840-A Membrane-associated tyrosine and threonine-specific CDC2 inhibitor kinase (PKMYT 1) inhibitors and uses thereof 英矽智能科技知识产权有限公司 2024-11-05 CN disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
CN-1615873-A Azaindoles compound AVENTIS PHARMA LTD (GB) 2005-05-18 CN disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US disclosed
US-20040186124-A1 (2-carboxamido)(3-amino)thiophene compounds OSI PHARMACEUTICALS, INC. 2004-09-23 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US disclosed
WO-2004063330-A2 (2-CARBOXAMIDO) (3-AMINO) THIOPHENE COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2004-07-29 WO disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 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 (8 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 LRRK2 2276/4885PRKCI 770/4885AXL 558/4885
US-20040186124-A1 (2-carboxamido)(3-amino)thiophene compounds ABL1, NAT1, KRAS LRRK2 2013/4885PRKCI 2981/4885AXL 386/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 LRRK2 2551/4885PRKCI 501/4885AXL 1258/4885
US-20250179070-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING COMPOUNDS AND OF THEIR USE AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 LRRK2 220/4885PRKCI 104/4885AXL 1734/4885
US-20250129021-A1 SMALL MOLECULE PROTEIN SYNTHESIS MODULATORS MYC, KRAS, NRAS LRRK2 200/4885PRKCI 274/4885AXL 3805/4885
US-20250136596-A1 MEMBRANE-ASSOCIATED TYROSINE- AND THREONINE-SPECIFIC CDC2-INHIBITORY KINASE (PKMYT1) INHIBITORS AND USES THEREOF PKMYT1, MNAT1, PKN1 LRRK2 256/4885PRKCI 150/4885AXL 1444/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 LRRK2 2774/4885PRKCI 1559/4885AXL 524/4885
US-12264155-B2 Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use as ATR kinase inhibitors ATR, CHEK2, CHEK1 LRRK2 220/4885PRKCI 104/4885AXL 1734/4885

“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.