SCHEMBL3961093

SCHEMBL3961093

Oc1cccc2c1CNC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
PNMT P11086 2/20 0.44
CD44 P16070 1/20 0.42
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
PARP1 P09874 1/20 0.40
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPN P05981 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 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
Bromide SCHEMBL384160 0.98 BCL2L1 (0.47) BCL2L1BADPNMTCD44DRD2
Hydrochloric Acid SCHEMBL11569899 0.98 BCL2L1 (0.47) BCL2L1BADPNMTCD44DRD2
SCHEMBL29945525 0.82 BCL2L1 (0.48) BCL2L1BADPNMTDRD2DRD3
SCHEMBL19028377 0.82 BCL2L1 (0.48) BCL2L1BADPNMTDRD2DRD3
SCHEMBL30826977 0.81 CD44 (0.61) BCL2L1BADPNMTCD44DRD2
SCHEMBL1956718 0.81 CD44 (0.61) BCL2L1BADPNMTCD44DRD2
SCHEMBL29914246 0.81 PNMT (0.67) BCL2L1BADPNMTCD44
SCHEMBL3157785 0.81 PNMT (0.67) BCL2L1BADPNMTCD44
Tert-Butyl Formate SCHEMBL28025315 0.80 TDP1 (0.38) BCL2L1BADPNMTCD44DRD2
Hydrochloric Acid SCHEMBL15056499 0.79 PNMT (0.65) BCL2L1BADPNMTCD44

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117327111-A Probe for rapidly detecting hydrogen peroxide in high-sensitivity colorimetric and fluorescent modes, and preparation method and application thereof 中国科学院新疆理化技术研究所 2024-01-02 CN disclosed
WO-2023002165-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2023-01-26 WO disclosed
EP-3746435-B1 SUBSTITUTED QUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2022-08-03 EP disclosed
US-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents PFIZER INC. (US) 2020-05-26 US disclosed
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents PFIZER INC. (US) 2019-08-01 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
US-7345180-B2 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2008-03-18 US disclosed
EP-1877379-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 Astex Therapeutics Limited (GB) 2008-01-16 EP disclosed
CN-1984892-A Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-06-20 CN disclosed
CN-1910149-A Bronchodilatory compounds RESPIRATORIUS AB (SE) 2007-02-07 CN disclosed
WO-2006109085-A1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2006-10-19 WO disclosed
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2006-10-12 US disclosed
CN-1745063-A Compound inhibiting dipeptidyl peptidase iv SANWA KAGAKU KENKYUSHO CO (JP) 2006-03-08 CN disclosed
EP-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed
EP-0002792-A1 3-Aminopropoxyaryl derivatives, their preparation and pharmaceutical compositions containing them SANDOZ AG (CH) 1979-07-11 EP 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-10662204-B2 Substituted quinazoline and pyridopyrimidine derivatives useful as anticancer agents DPYD, PDXK, TYMP BCL2L1 2107/4885BAD 2364/4885PNMT 2200/4885
US-20190233440-A1 Substituted Quinazoline and Pyridopyrimidine Derivatives Useful as Anticancer Agents DPYD, TYMP, TOP2A BCL2L1 1482/4885BAD 1794/4885PNMT 2297/4885
US-20060229286-A1 Compound inhibiting dipeptidyl peptidase IV DPP4, DPP3, DPP7 BCL2L1 4576/4885BAD 3586/4885PNMT 2888/4885

“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.