SCHEMBL14964462

SCHEMBL14964462

CCc1cnn(Cc2cccnc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.54
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.47
CHRNB2 P17787 4/20 0.46
CHRNA4 P43681 4/20 0.46
CYP11B1 P15538 1/20 0.45
ERCC5 P28715 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GUSB P08236 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KLKB1 P03952 1/20 0.42
KDM5B Q9UGL1 1/20 0.42

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
SCHEMBL13181100 0.88 L3MBTL1 (0.51) L3MBTL1ALDH1A1PKMCHRNB2CHRNA4
SCHEMBL13153132 0.83 L3MBTL1 (0.50) L3MBTL1ALDH1A1PKMCHRNB2CHRNA4
SCHEMBL9908393 0.83 L3MBTL1 (0.61) L3MBTL1ALDH1A1TDP1
SCHEMBL12017401 0.82 L3MBTL1 (0.55) L3MBTL1ALDH1A1PKMCHRNB2CHRNA4
SCHEMBL18507345 0.81 CYP3A4 (0.48) L3MBTL1CYP11B1ERCC5KLKB1KDM5B
SCHEMBL12068737 0.80 L3MBTL1 (0.56) L3MBTL1ALDH1A1PKMCHRNB2CHRNA4
SCHEMBL14804462 0.79 L3MBTL1 (0.52) L3MBTL1ALDH1A1PKMCHRNB2CHRNA4
SCHEMBL12070826 0.79 L3MBTL1 (0.49) L3MBTL1ALDH1A1PKMCHRNB2CHRNA4
SCHEMBL30027790 0.79 L3MBTL1 (0.55) L3MBTL1ALDH1A1PKMCHRNB2CHRNA4
SCHEMBL29160059 0.79 L3MBTL1 (0.55) L3MBTL1ALDH1A1PKMCHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023096928-A1 HETERO-ATOM CONTAINING COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-06-01 WO disclosed
EP-3127554-A1 MEDICINE FOR SUPPRESSING MALIGNANT TUMOR METASTASIS National Cerebral and Cardiovascular Center (JP) 2017-02-08 EP disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-8962596-B2 5,7-substituted-imidazo[1,2-C]pyrimidines as inhibitors of JAK kinases ARRAY BIOPHARMA INC. (US) 2015-02-24 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES ARRAY BIOPHARMA INC. (US) 2013-05-23 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 (2 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-20130131039-A1 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES AS INHIBITORS OF JAK KINASES JAK1, JAK3, JAK2 L3MBTL1 822/4885ALDH1A1 2487/4885PKM 1182/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 L3MBTL1 3982/4885ALDH1A1 2036/4885PKM 1517/4885

“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.