SCHEMBL906665

SCHEMBL906665

O=c1[nH]ccc2nc[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
PARP1 P09874 11/20 0.44
PDPK1 O15530 3/20 0.44
CA12 O43570 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA9 Q16790 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
KDM4A O75164 1/20 0.40
KDM4B O94953 1/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
KDM3A Q9Y4C1 1/20 0.40
CHEK1 O14757 2/20 0.40
ACHE P22303 1/20 0.39
GDA Q9Y2T3 1/20 0.39
DYRK1A Q13627 1/20 0.39
PIM1 P11309 1/20 0.39
AKT1 P31749 1/20 0.39

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
SCHEMBL1415174 0.91 ALDH1A1 (0.52) ALDH1A1PARP1PDPK1CA12ALOX15
SCHEMBL1374558 0.73 PRKCI (0.44) ALDH1A1PARP1PDPK1CA12ALOX15
SCHEMBL29434720 0.71 ALDH1A1 (0.48) ALDH1A1PARP1PDPK1CA12ALOX15
SCHEMBL1651016 0.70 PARP1 (0.53) ALDH1A1PARP1PDPK1CA12ALOX15
Hypoxanthine SCHEMBL25381 0.69 ALDH1A1 (1.00) ALDH1A1PDPK1SMN1; SMN2CHEK1ACHE
Hypoxanthine SCHEMBL30096461 0.69 ALDH1A1 (1.00) ALDH1A1PDPK1SMN1; SMN2CHEK1ACHE
Hypoxanthine SCHEMBL7037918 0.69 ALDH1A1 (1.00) ALDH1A1PDPK1SMN1; SMN2CHEK1ACHE
SCHEMBL9379086 0.69 ALDH1A1 (0.46) ALDH1A1PARP1PDPK1CA12ALOX15
SCHEMBL4034928 0.68 SMN1; SMN2 (0.46) ALDH1A1PARP1PDPK1CA12ALOX15
SCHEMBL1996037 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436969-A2 BICYCLIC THERAPEUTIC COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER Genentech, Inc. (US) 2024-10-02 EP disclosed
WO-2024105563-A1 SUBSTITUTED BICYCLIC PYRIDONE DERIVATIVES PFIZER INC. (US) 2024-05-23 WO disclosed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO disclosed
WO-2023250157-A9 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2024-01-25 WO disclosed
WO-2023097194-A2 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2023-06-01 WO disclosed
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-05-07 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-9975891-B2 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-22 US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
US-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2017-02-23 US disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
WO-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed
US-6518271-B1 1H-imidazo[4,5-d]pyridazin-7-one, and corresponding thiones as corticotropin releasing factor (CRF) receptor ligands BRISTOL-MYERS SQUIBB COMPANY 2003-02-11 US disclosed
EP-1140929-A4 1H-IMIDAZO 4,5-D]PYRIDAZIN-7-ONES, 3H-IMIDAZO 4,5-C]PYRIDIN-4-ONES AND CORRESPONDING THIONES AS CORTICOTROPIN RELEASING FACTOR (CRF) RECEPTOR LIGANDS DU PONT PHARM CO (US) 2002-04-17 EP disclosed
EP-1140929-A1 1H-IMIDAZO 4,5-D]PYRIDAZIN-7-ONES, 3H-IMIDAZO 4,5-C]PYRIDIN-4-ONES AND CORRESPONDING THIONES AS CORTICOTROPIN RELEASING FACTOR (CRF) RECEPTOR LIGANDS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
US-6271380-B1 TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC, NEUROLOGICAL DISORDERS AS WELL IMMUNOLOGICAL, CARDIOVASCULAR OR HEART-RELATED DISEASES AND COLONIC HYPERSENSITIVITY ASSOCIATED WITH PSYCHOPATHOLOGICAL DISTURBANCE AND STRESS. DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed
US-6271380-B1 TREATING ANXIETY, DEPRESSION, AND OTHER PSYCHIATRIC, NEUROLOGICAL DISORDERS AS WELL IMMUNOLOGICAL, CARDIOVASCULAR OR HEART-RELATED DISEASES AND COLONIC HYPERSENSITIVITY ASSOCIATED WITH PSYCHOPATHOLOGICAL DISTURBANCE AND STRESS. DUPONT PHARMACEUTICALS COMPANY 2001-08-07 US disclosed
EP-1117664-A1 IMIDAZO[4,5-C-]-PYRIDINE-4-ONE DERIVATIVES WITH FACTOR XA INHIBITING EFFECT MERCK PATENT GmbH (DE) 2001-07-25 EP disclosed
WO-2000039127-A1 1H-IMIDAZO[4,5-D]PYRIDAZIN-7-ONES, 3H-IMIDAZO[4,5-C]PYRIDIN-4-ONES AND CORRESPONDING THIONES AS CORTICOTROPIN RELEASING FACTOR (CRF) RECEPTOR LIGANDS DU PONT PHARMACEUTICALS COMPANY (US) 2000-07-06 WO disclosed
WO-2000020416-A1 IMIDAZO[4,5-C-]-PYRIDINE-4-ONE DERIVATIVES WITH FACTOR XA INHIBITING EFFECT MERCK PATENT GMBH (DE) 2000-04-13 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 (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-20170050964-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3371/4885PARP1 626/4885PDPK1 2467/4885
US-20200140436-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS F12, F2, CPB1 ALDH1A1 3406/4885PARP1 665/4885PDPK1 2485/4885

“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.