SCHEMBL2155209

SCHEMBL2155209

O=CC#Cc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2B6 P20813 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2E1 P05181 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 2/20 0.50
CYP2C8 P10632 1/20 0.50
CHRNB2 P17787 4/20 0.49
CHRNA4 P43681 4/20 0.49
GRM5 P41594 3/20 0.45
ERN1 O75460 1/20 0.44
FFAR1 O14842 1/20 0.44

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
SCHEMBL31044654 1.00 CYP2A6 (0.52) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL6852354 0.80 CYP11B2 (0.57) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL3796332 0.80 CYP2A6 (0.67) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
Pyrazine SCHEMBL27612791 0.78 APP (0.44) CYP2C9CYP2C19CYP3A4CYP1A2GRM5
SCHEMBL61840 0.76
SCHEMBL13907278 0.76 CYP2A6 (0.62) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL3839957 0.76 FFAR1 (0.51) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL31395113 0.76 FFAR1 (0.51) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL28415042 0.76 CYP2A6 (0.61) CYP2A6CYP2C9CYP2B6CYP2C19CYP2D6
SCHEMBL6850738 0.74 DYRK1A (0.54) CYP2A6CYP2C9CYP2B6CYP2C19CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3891148-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2021-10-13 EP disclosed
CN-111285873-A RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业有限公司 2020-06-16 CN disclosed
WO-2020114494-A1 RET INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-06-11 WO disclosed
CN-101124213-B Sulfonylamino cyclic derivatives and uses thereof MERCK SERONO S.A. (CH) 2012-02-01 CN disclosed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US disclosed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US disclosed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN disclosed
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 WO disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
CN-1589277-A 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO MCNEIL PHARM INC (US) 2005-03-02 CN disclosed
EP-1430068-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-06-23 EP disclosed
US-6713455-B2 A BICYCLIC HETEROAROMATIC COMPOUND CONTAINING TWO KETO, TWO ESTER, A CARBAMATE GROUPS AND A METHYL, HYDROXY AND AMINE SUBSTITUTED OXYPYRAN RING; USEFUL ANTIBACTERIAL AGENT FOR TREATING PNEUMONIA, SKIN, SOFT TISSUE AND BONE INFECTIONS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-30 US disclosed
US-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-03 US disclosed
WO-2003024986-A1 6-O-CARBAMATE-11,12-LACTO-KETOLIDE ANTIMICROBIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-03-27 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 (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-20030125267-A1 6-O-carbamate-11,12-lacto-ketolide antimicrobials ARG1, LPO, Q6ZSR9 CYP2A6 601/4885CYP2C9 927/4885CYP2B6 639/4885
US-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 CYP2A6 3632/4885CYP2C9 3449/4885CYP2B6 3656/4885
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof GLS2, SRM, GLS CYP2A6 1950/4885CYP2C9 613/4885CYP2B6 1530/4885

“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.