SCHEMBL1891504

SCHEMBL1891504

CC1CN(c2nc3c(s2)CCCC3)N=C1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ JAK2 O60674 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ RET P07949 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ PDK1 Q15118 3/20 0.36
▸ FBP1 P09467 2/20 0.36
▸ ADRA2A P08913 4/20 0.35
▸ ADRA2B P18089 4/20 0.35
▸ ADRA2C P18825 4/20 0.35
▸ TSHR P16473 1/20 0.32
▸ RAB9A P51151 5/20 0.32
▸ NPC1 O15118 5/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ TP53 P04637 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32

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
SCHEMBL10893459 0.74 APOBEC3A (0.49) APOBEC3AAPOBEC3GJAK2MAP4K4RET
SCHEMBL10888852 0.74 ALDH1A1 (0.31) RAB9ANPC1TP53ALDH1A1MAPT
Hydrochloric Acid SCHEMBL10891371 0.73 APOBEC3A (0.47) APOBEC3AAPOBEC3GJAK2MAP4K4RET
Evandamine SCHEMBL6009808 0.71 APOBEC3A (0.42) APOBEC3AAPOBEC3GJAK2MAP4K4RET
SCHEMBL13387645 0.66 PDK1 (0.36) APOBEC3AAPOBEC3GJAK2MAP4K4RET
SCHEMBL10890832 0.65 NPC1 (0.37) APOBEC3AAPOBEC3GPDK1FBP1TSHR
SCHEMBL16695138 0.64 SMN1; SMN2 (0.53) APOBEC3AAPOBEC3GJAK2MAP4K4RET
Hydrochloric Acid SCHEMBL10891755 0.64 NPC1 (0.36) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A
SCHEMBL10893914 0.63 ABL1 (0.44) TSHRRAB9ANPC1SMN1; SMN2TP53
SCHEMBL558522 0.63 APOBEC3A (0.95) APOBEC3AAPOBEC3GPDK1FBP1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150320697-A1 Methods For Bone Treatment By Modulating An Arachidonic Acid Metabolic or Signaling Pathway ACCELALOX, INC. 2015-11-12 — — US claimed
EP-1947942-B1 METHODS FOR BONE TREATMENT BY MODULATING AN ARACHIDONIC ACID METABOLIC OR SIGNALING PATHWAY ACCELALOX INC (US) 2015-07-29 — — EP claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 — — US claimed
US-8980851-B2 Methods for bone treatment by modulating an arachidonic acid metabolic or signaling pathway ACCELALOX, INC. (US) 2015-03-17 — — US claimed
WO-2014031586-A2 METHODS FOR TREATING CARDIOVASCULAR DISEASES TALLIKUT PHARMACEUTICALS, INC. (US) 2014-02-27 — — WO claimed
US-20110124717-A1 Methods for Bone Treatment by Modulating an Arachidonic Acid Metabolic or Signaling Pathway ACCELALOX, INC. (US) 2011-05-26 — — US claimed
US-7829535-B2 for promoting osteogenesis to accelerate or enhance bone fracture healing, treat bone defects, and enhance bone formation are disclosed. The methods modulate an arachidonic acid metabolic or signaling pathway in general, and, in particular, utilize 5-lipoxygenase inhibitors. ACCELALOX, INC. (US) 2010-11-09 — — US claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 — — US claimed
CN-101330905-A Freeze-drying process and products obtained thereby SCIDOSE LLC (US) 2008-12-24 — — CN claimed
US-20080280826-A1 for promoting osteogenesis to accelerate or enhance bone fracture healing, treat bone defects, and enhance bone formation are disclosed. The methods modulate an arachidonic acid metabolic or signaling pathway in general, and, in particular, utilize 5-lipoxygenase inhibitors. ACCELALOX, INC. (US) 2008-11-13 — — US claimed
EP-1385505-B1 ACNE TREATMENT WITH LIPOOXIGENASE INHIBITORS ZOUBOULIS CHRISTOS (DE) 2006-07-05 — — EP claimed
EP-0833622-B8 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-10-12 — — EP claimed
EP-0833622-B1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR SEARLE & CO (US) 2005-08-10 — — EP claimed
US-20020143033-A1 Immunosuppresive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor G.D. SEARLE & CO. 2002-10-03 — — US claimed
EP-0888127-B1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS SEARLE & CO (US) 2001-12-12 — — EP claimed
US-6136839-A USING A SULFONE OR SULFOAMIDE BENZENE COMPOUND G. D. SEARLE & CO. (US) 2000-10-24 — — US claimed
EP-0888127-A1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1999-01-07 — — EP claimed
EP-0833622-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1998-04-08 — — EP claimed
WO-1997029776-A1 COMBINATIONS HAVING IMMUNOSUPPRESSIVE EFFECTS, CONTAINING CYCLOOXYGENASE-2-INHIBITORS AND 5-LIPOXYGENASE INHIBITORS G.D. SEARLE & CO. (US) 1997-08-21 — — WO claimed
WO-1996041626-A1 COMPOSITIONS COMPRISING A CYCLOOXYGENASE-2 INHIBITOR AND A 5-LIPOXYGENASE INHIBITOR G.D. SEARLE & CO. (US) 1996-12-27 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20020143033-A1 Immunosuppresive effects of administration of a cyclooxygenase-2 inhibitor and a 5-lipoxygenase inhibitor ALOX5, ALOX15B, ALOX15 APOBEC3A 2316/4885APOBEC3G 2205/4885JAK2 2553/4885

“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