SCHEMBL1017992

SCHEMBL1017992

C[Sn](C)(C)c1ccc(Cl)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ ADRA2B P18089 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ PLAU P00749 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ NFE2L2 Q16236 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
SCHEMBL111678 0.71 GRM5 (0.33) —
SCHEMBL8328754 0.71 GBA1 (0.41) ADRA2AADRA2BADRA2CPLAUNPC1
SCHEMBL29687009 0.70 NPC1 (0.41) PTK2L3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL16290789 0.70 NPC1 (0.41) PTK2L3MBTL1ADRA2AADRA2BADRA2C
SCHEMBL31171066 0.67 — —
SCHEMBL111140 0.67 — —
SCHEMBL5507539 0.67 — —
SCHEMBL7798852 0.67 KMT2A (0.43) L3MBTL1TDP1NPC1MAPK1RAB9A
SCHEMBL1019206 0.67 NPC1 (0.45) TDP1NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL17800 0.66 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 — — US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
US-11124480-B2 Heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-09-21 — — US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 — — US disclosed
EP-3444239-B1 HETEROCYCLIC COMPOUNDS USEFUL FOR CONTROLLING ARTHROPODS SUMITOMO CHEMICAL CO (JP) 2020-11-04 — — EP disclosed
US-20200239418-A1 HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-07-30 — — US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 — — US disclosed
US-10662157-B2 Heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-26 — — US disclosed
US-20190127328-A1 HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-05-02 — — US disclosed
EP-3444239-A1 HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2019-02-20 — — EP disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 — — WO disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 — — US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 — — EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 — — US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 — — US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 — — WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 — — WO disclosed
US-5922742-A NOVEL COMPOUNDS ACT AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, AND ANALGESICS AND WOULD INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS WITHOUT MECHANISM-BASED SIDE EFFECTS MERCK FROSST CANADA (CA) 1999-07-13 — — US disclosed
EP-0900201-A1 PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-03-10 — — EP disclosed
WO-1997040012-A1 PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-30 — — 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 (10 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-20200239418-A1 HETEROCYCLIC COMPOUND ALOX15B, ALOX12, PTGER1 PTK2 3212/4885L3MBTL1 1303/4885ADRA2A 3293/4885
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PTK2 719/4885L3MBTL1 925/4885ADRA2A 3969/4885
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PTK2 1858/4885L3MBTL1 4123/4885ADRA2A 440/4885
US-11124480-B2 Heterocyclic compound ALOX15B, ALOX12, PTGER1 PTK2 3212/4885L3MBTL1 1303/4885ADRA2A 3293/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PTK2 719/4885L3MBTL1 925/4885ADRA2A 3969/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO PTK2 698/4885L3MBTL1 970/4885ADRA2A 3957/4885
US-10662157-B2 Heterocyclic compound ALOX15B, ALOX12, PTGER1 PTK2 3212/4885L3MBTL1 1303/4885ADRA2A 3293/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PTK2 719/4885L3MBTL1 925/4885ADRA2A 3969/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PTK2 1858/4885L3MBTL1 4123/4885ADRA2A 440/4885
US-20190127328-A1 HETEROCYCLIC COMPOUND ALOX15B, ALOX12, PTGER1 PTK2 3212/4885L3MBTL1 1303/4885ADRA2A 3293/4885

“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.

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