SCHEMBL4904441

SCHEMBL4904441

Cc1cc2c(Cl)nccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NQO2 P16083 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ MAP3K14 Q99558 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL23479821 0.80 DYRK1A (0.37) PDE3BPDE3ALMNADYRK1ARXFP1
SCHEMBL17531158 0.80 PDE3B (0.56) GAACYP1A2HPGDPDE3BPDE3A
SCHEMBL30480853 0.79 ATAD2 (0.49) CYP1A2PDE3BPDE3ALMNARXFP1
SCHEMBL6684317 0.77 DYRK1A (0.36) PDE3BPDE3ALMNADYRK1AMAPT
SCHEMBL21603416 0.77 PDE3B (0.53) GAACYP1A2HPGDPDE3BPDE3A
SCHEMBL23474457 0.77 KEAP1 (0.43) GAACYP1A2HPGDPDE3BPDE3A
SCHEMBL8140613 0.77 FYN (0.53) GAACYP1A2PDE3BPDE3ARXFP1
SCHEMBL22641204 0.77 PDE3B (0.41) PDE3BPDE3ADYRK1ABRD4
SCHEMBL29301807 0.77 DHFR (0.42) PDE3BPDE3ALMNADYRK1ARXFP1
SCHEMBL3207779 0.74 ALDH1A1 (0.42) GAACYP1A2HPGDPDE3BPDE3A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 — — US disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 — — US disclosed
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
WO-2021113686-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
WO-2021113682-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 — — WO disclosed
WO-2013010880-A1 NEW CRTH2 ANTAGONISTS ALMIRALL, S.A. (ES) 2013-01-24 — — WO disclosed
EP-2548876-A1 New CRTh2 antagonists Almirall, S.A. (ES) 2013-01-23 — — EP disclosed
EP-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 — — EP disclosed
EP-2526945-A1 New CRTH2 Antagonists Almirall, S.A. (ES) 2012-11-28 — — EP disclosed
US-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders ASTRAZENECA AB (SE) 2008-01-31 — — US disclosed
WO-2005121141-A1 PYRROLOPYRIDINE DERIVATIVES AND USE THEREOF FOR TREATING DISEASES MEDIATED BY PROSTAGLANDIN D2 (PGD2) OXAGEN LIMITED (GB) 2005-12-22 — — 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-20080027092-A1 1-Acetic Acid-Indole, -Indazole and -Benzimidazole Derivatives Useful for the Treatment of Respiratory Disorders IDO1, ABAT, ECI1 GAA 732/4885CYP1A2 64/4885HPGD 196/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 GAA 2522/4885CYP1A2 3133/4885HPGD 1773/4885

“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.

Send feedback