SCHEMBL6771028

SCHEMBL6771028

Cc1nc(I)c2sccn12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.38
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 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
SCHEMBL7638619 0.79 ALOX12 (0.44) ALOX12CYP1A2TDP1MAPK1
SCHEMBL6626573 0.76 PTGS1 (0.35) ALOX12
SCHEMBL21760698 0.64 ALOX12 (0.59) ALOX12CYP1A2TDP1MAPK1
SCHEMBL6894574 0.62 MAPK1 (0.40) ALOX12CYP1A2TDP1MAPK1
SCHEMBL20756096 0.60
SCHEMBL21893409 0.58 ALOX12 (0.56) ALOX12CYP1A2TDP1MAPK1
SCHEMBL1339860 0.58 CYP1A2 (0.47) ALOX12CYP1A2TDP1MAPK1
SCHEMBL13201542 0.57 BTK (0.33)
SCHEMBL21894538 0.56 ALOX12 (0.59) ALOX12CYP1A2TDP1MAPK1
SCHEMBL12022868 0.56 ALOX12 (0.50) ALOX12CYP1A2TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170233413-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-17 US disclosed
US-6825187-B2 CARBAPENEM DERIVATIVES SUBSTITUTED AT THE 2-POSITION WITH A SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP; USE AGAINST ANTIBIOTIC RESISTANT STAPHYLOCOCCUS AUREUS AND PSEUDOMONAS AERUGINOSA, ENTEROCOCCI AND INFLUENZA VIRUS MEIJI SEIKA KAISHA, LTD. (JP) 2004-11-30 US disclosed
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type MEIJI SEIKA KAISHA, LTD. (JP) 2003-01-30 US disclosed
EP-1251134-A1 NOVEL CARBAPENEM DERIVATIVES OF QUATERNARY SALT TYPE MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
US-6458780-B1 IMIDAZO(5,1-B)THIAZOLE GROUP AT THE 2-POSITION ON THE CARBAPENEM RING HAVE HIGH ANTI-MICROBIAL ACTIVITIES AGAINST .BETA.-LACTAMASE PRODUCING BACTERIA, MRSA, RESISTANT-PSEUDOMONAS AERUGINOSA, PRSP, ENTEROCOCCI, AND MEIJI SEIKA KAISHA, LTD. (JP) 2002-10-01 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP 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-20170233413-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF TYMP, DPYD, TYMS ALOX12 2483/4885CYP1A2 742/4885TDP1 33/4885
US-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 ALOX12 4047/4885CYP1A2 2616/4885TDP1 3544/4885
US-20030022881-A1 Novel carbapenem derivatives of quarternary salt type DHPS, HDHD5, RRP15 ALOX12 4136/4885CYP1A2 3269/4885TDP1 1723/4885

“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.