SCHEMBL3580986

SCHEMBL3580986

O=c1cc[nH]c2ccncc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.46
PARP1 P09874 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CCR8 P51685 1/20 0.43
MAPT P10636 1/20 0.42
HTR6 P50406 2/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.41
PIK3CD O00329 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
KDM3A Q9Y4C1 1/20 0.38

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
SCHEMBL30130601 1.00 FEN1 (0.46) FEN1PARP1ALDH1A1CCR8MAPT
SCHEMBL30130602 1.00 FEN1 (0.46) FEN1PARP1ALDH1A1CCR8MAPT
SCHEMBL5144248 0.84 ALDH1A1 (0.48) FEN1PARP1ALDH1A1CCR8KMT2A
SCHEMBL30688512 0.81 ALDH1A1 (0.42) FEN1PARP1ALDH1A1CCR8MAPT
SCHEMBL4900156 0.76 HTR6 (0.42) FEN1PARP1ALDH1A1MAPTHTR6
SCHEMBL30688486 0.75 ALDH1A1 (0.47) PARP1ALDH1A1CCR8KMT2AHSD17B10
SCHEMBL25427860 0.73 ALDH1A1 (0.42) ALDH1A1CCR8KMT2AHSD17B10ADORA2A
SCHEMBL3402056 0.71 KDM4C (0.49) FEN1PARP1MAPTHTR6ACHE
SCHEMBL709416 0.70 PDE3B (0.50) MAPTPIK3CDPDE3BPDE3APIK3CB
SCHEMBL67000 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-01-01 US claimed
EP-4436662-B1 NAPHTHYRIDINONE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2025-09-17 EP claimed
EP-3529251-B1 NAPHTHYRIDINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ARRHYTHMIA NOVARTIS AG (CH) 2022-10-05 EP claimed
EP-1730145-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-13 EP claimed
WO-2005095401-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed
US-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-01-01 US disclosed
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
EP-3691642-B1 [1,6]NAPHTHYRIDINE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2024-03-06 EP disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
CN-111163775-B Novel [1,6] naphthyridine compounds and derivatives as CDK8/CDK19 inhibitors 勃林格殷格翰国际有限公司 2023-07-11 CN disclosed
CN-109843887-B Nalidinone derivatives and their use in the treatment of cardiac arrhythmias 诺华股份有限公司 2022-05-10 CN disclosed
US-11261184-B2 [1,6]naphthyridine compounds and derivatives as CDK8/CDK19 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-03-01 US disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 US disclosed
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1583537-A3 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
EP-1583537-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2005-10-12 EP disclosed
EP-1537123-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-06-08 EP disclosed
WO-2004002992-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-01-08 WO disclosed
WO-2004002490-A2 PIPERIDINE COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2004-01-08 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 (6 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-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 FEN1 4877/4885PARP1 4358/4885ALDH1A1 1762/4885
US-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN CNR1, SCN1B, OPRL1 FEN1 4784/4885PARP1 3788/4885ALDH1A1 1503/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 FEN1 4877/4885PARP1 4358/4885ALDH1A1 1762/4885
US-20060189604-A1 Compounds ELANE, PIGS, SDHA FEN1 1276/4885PARP1 1578/4885ALDH1A1 2290/4885
US-20060058287-A1 Gramnegative and Grampositive bacterial infections; substituted Piperidine derivatives specially optionally substituted pyrido [3,2, -b][1,4] thiazin-yl; 6-({(3R,4S)-3-Fluoro-1-[(R)-2-hydroxy-2-(2-methoxy-quinolin-8-yl)-ethyl]-piperidin-4-ylamino }-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one; nontoxic TLR1, TLR2, TLR6 FEN1 782/4885PARP1 157/4885ALDH1A1 1113/4885
US-11261184-B2 [1,6]naphthyridine compounds and derivatives as CDK8/CDK19 inhibitors CDK9, CDK19, CDK8 FEN1 1726/4885PARP1 270/4885ALDH1A1 3742/4885

“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.