SCHEMBL3078026

SCHEMBL3078026

COCCCc1ccccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 5/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
FDPS P14324 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
RCE1 Q9Y256 1/20 0.36
TSHR P16473 1/20 0.36
IDO1 P14902 1/20 0.35
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL3065473 0.94 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19SIGMAR1ALDH1A1
SCHEMBL1419719 0.88 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19SIGMAR1ALDH1A1
SCHEMBL29684479 0.88 ALDH1A1 (0.41) CYP1A2CYP2C9CYP2C19SIGMAR1ALDH1A1
SCHEMBL740784 0.85 CD44 (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2B
SCHEMBL15184061 0.81 TSHR (0.39) ALDH1A1TDP1TAAR1KDM4ETSHR
SCHEMBL31312727 0.81 TSHR (0.38) CYP1A2CYP2C9CYP2C19SIGMAR1ALDH1A1
SCHEMBL10694333 0.81 TSHR (0.38) CYP1A2CYP2C9CYP2C19SIGMAR1ALDH1A1
SCHEMBL23159850 0.80 ALOX15 (0.47) SIGMAR1ALDH1A1TDP1TAAR1FDPS
SCHEMBL23159894 0.80 ALOX15 (0.47) SIGMAR1ALDH1A1TDP1TAAR1FDPS
SCHEMBL6225993 0.79 ALDH1A1 (0.39) CYP1A2CYP2C9CYP2C19SIGMAR1ALDH1A1

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
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 US disclosed
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 WO disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
US-4014864-A POLYESTER FIBERS CIBA-GEIGY CORPORATION (US) 1977-03-29 US 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 (4 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-20090012055-A1 Organic compounds REN, ACE, ACE2 CYP1A2 51/4885CYP2C9 63/4885CYP2C19 57/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CYP1A2 51/4885CYP2C9 63/4885CYP2C19 57/4885
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB CYP1A2 2627/4885CYP2C9 4025/4885CYP2C19 3822/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG CYP1A2 2555/4885CYP2C9 4095/4885CYP2C19 3961/4885

“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.