SCHEMBL5158893

SCHEMBL5158893

Cc1cnc(N(S)C(N)=O)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.35
▸ IKBKB O14920 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MAPT P10636 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ NNMT P40261 1/20 0.31
▸ ADRA2A P08913 2/20 0.31
▸ ADRA2B P18089 2/20 0.31
▸ ADRA2C P18825 2/20 0.31
▸ PLAU P00749 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17703483 0.71 NOS1 (0.40) NOS3NOS1NOS2
SCHEMBL6179196 0.68 RAB9A (0.41) PARP1NPC1RAB9AMAPTNOS3
SCHEMBL6180153 0.67 PLAU (0.42) GAANNMTPLAU
SCHEMBL31555015 0.65 HCAR2 (0.42) NPC1RAB9AMAPTKDM4E
SCHEMBL14555730 0.65 HCAR2 (0.42) NPC1RAB9AMAPTKDM4E
SCHEMBL11066001 0.65 PARP1 (0.30) PARP1
SCHEMBL15993375 0.65 KDM4E (0.34) ADRA2AADRA2BADRA2CPLAUKDM4E
SCHEMBL15174259 0.64 KDM4E (0.39) MAPTGAAKDM4E
SCHEMBL4929960 0.64 TPMT (0.38) PARP1KDM4E
SCHEMBL27584837 0.64 PARP1 (0.34) PARP1IKBKBNPC1RAB9AMAPT

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
EP-1740155-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS Icagen, Inc. (US) 2007-01-10 — — EP disclosed
EP-1218376-B1 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2005-11-09 — — EP disclosed
WO-2005099673-A1 POLYCYLIC THIAZOLES AS POTASSIUM ION CHANNEL MODULATORS ICAGEN, INC. (US) 2005-10-27 — — WO disclosed
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators ICAGEN, INC. (US) 2005-10-13 — — US disclosed
US-6586424-B2 Anticancer agents; anticholesterol agents MERCK & CO., INC. 2003-07-01 — — US disclosed
US-6586423-B2 2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile derivatives; angiogenesis inhibitors; antitumor and anticarcinogenic agents; atherosclerosis, macular degeneration, diabetic retinopathy MERCK & CO., INC. 2003-07-01 — — US disclosed
US-20030064996-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2003-04-03 — — US disclosed
EP-1218376-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2002-11-20 — — EP disclosed
US-20020147203-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2002-10-10 — — US disclosed
EP-1218376-A1 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2002-07-03 — — EP disclosed
WO-2001017995-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2001-03-15 — — 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-20020147203-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PARP1 2637/4885IKBKB 214/4885NPC1 3497/4885
US-20030064996-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 PARP1 2637/4885IKBKB 214/4885NPC1 3497/4885
US-20050227989-A1 Polycyclic thiazoles as potassium ion channel modulators KCNJ2, KCNA3, KCNN3 PARP1 4168/4885IKBKB 2071/4885NPC1 724/4885

“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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