SCHEMBL602201

SCHEMBL602201

CSc1nc(O)cc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PPARG P37231 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 4/20 0.33
MAPK1 P28482 3/20 0.33
ATM Q13315 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL2900606 0.86 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EFFAR4
SCHEMBL5752058 0.82 POLB (0.42) SMN1; SMN2MEN1KMT2AL3MBTL1MAPK1
SCHEMBL29352953 0.81 MAPK1 (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3852592 0.80 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2KDM4EMEN1
SCHEMBL537673 0.79 MAPK1 (0.42) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL254039 0.78 POLB (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EFFAR4
SCHEMBL77207 0.78 HSP90AA1 (0.55) ALDH1A1HPGDSMN1; SMN2KDM4EFFAR4
SCHEMBL18343685 0.77 HSP90AB1 (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EFFAR4
SCHEMBL10389241 0.77 MAPK1 (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL28715240 0.77 MAPK1 (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113272303-B Pyrimidine five-membered nitrogen heterocyclic derivative, preparation method and medical application thereof 上海拓界生物医药科技有限公司 2024-09-17 CN disclosed
CN-118414332-A (S) -2- (2-methylazetidin-1-yl) pyrimidine derivatives and pharmaceutical compositions containing the same 株式会社LG化学 2024-07-30 CN disclosed
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2024-06-25 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE UCB Biopharma SRL (BE) 2022-10-20 US disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed
US-20220073521-A1 PYRIMIDINE AND FIVE-MEMBERED NITROGEN HETEROCYCLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF TUOJIE BIOTECH (SHANGHAI) CO., LTD. (CN) 2022-03-10 US disclosed
US-20220073521-A1 PYRIMIDINE AND FIVE-MEMBERED NITROGEN HETEROCYCLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF TUOJIE BIOTECH (SHANGHAI) CO., LTD. (CN) 2022-03-10 US disclosed
EP-1383743-A4 DUAL INHIBITORS OF PDE 7 AND PDE 4 BRISTOL MYERS SQUIBB CO (US) 2006-04-12 EP disclosed
WO-2005105801-A1 PYRROLYL SUBSTITUTED PYRIDO[2,3-D]PYRIMIDIN-7-ONES AND DERIVATIVES THEREOF AS THERAPEUTIC AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-11-10 WO disclosed
EP-1397142-A4 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL MYERS SQUIBB CO (US) 2004-11-03 EP disclosed
EP-1397142-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 Bristol-Myers Squibb Company (US) 2004-03-17 EP disclosed
EP-1383743-A2 DUAL INHIBITORS OF PDE 7 AND PDE 4 Bristol-Myers Squibb Company (US) 2004-01-28 EP disclosed
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 US disclosed
US-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 BRISTOL-MYERS SQUIBB COMPANY 2003-06-05 US disclosed
WO-2002102313-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-27 WO disclosed
WO-2002088079-A2 DUAL INHIBITORS OF PDE 7 AND PDE 4 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-07 WO disclosed
WO-2002088080-A2 DUAL INHIBITORS OF PDE 7 AND PDE 4 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-07 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-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB ALDH1A1 550/4885HPGD 208/4885SMN1; SMN2 1698/4885
US-20030104974-A1 Dual inhibitorsof PDE 7 and PDE 4 PDE4A, PDE4B, PDE7B ALDH1A1 1814/4885HPGD 2653/4885SMN1; SMN2 4299/4885
US-20220332709-A1 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 ALDH1A1 233/4885HPGD 218/4885SMN1; SMN2 4377/4885
US-20220073521-A1 PYRIMIDINE AND FIVE-MEMBERED NITROGEN HETEROCYCLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF PTPN5, PTPN11, PTPN1 ALDH1A1 1766/4885HPGD 786/4885SMN1; SMN2 3965/4885
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 PDE7A, PDE7B, PDE3A ALDH1A1 475/4885HPGD 469/4885SMN1; SMN2 3040/4885
US-12018021-B2 Thiophene derivatives for the treatment of disorders caused by IgE TSLP, CYSLTR1, CYSLTR2 ALDH1A1 233/4885HPGD 218/4885SMN1; SMN2 4377/4885

“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.