SCHEMBL9237205

SCHEMBL9237205

CSc1nc(C(=O)c2ccccc2)nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
NR1I3 Q14994 2/20 0.47
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2B6 P20813 1/20 0.44
AHR P35869 1/20 0.44
CYP2C19 P33261 3/20 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
SCHEMBL15222217 0.79 HTT (0.59) ALDH1A1MEN1KMT2AHTTAURKA
SCHEMBL15217707 0.77 MAPT (0.58) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL28489651 0.73 ALDH1A1 (0.65) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL134274 0.71 ALDH1A1 (0.62) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL29532939 0.71 KDM4E (0.74) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL8325338 0.71 KDM4E (0.74) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL8776502 0.70 HTT (0.61) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL17690322 0.70 KMT2A (0.53) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL17716230 0.70 KMT2A (0.64) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL159829 0.70 KDM4E (0.53) ALDH1A1L3MBTL1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
EP-0665224-A1 PYRIMIDINE DERIVATIVE NIPPON SODA CO., LTD. (JP) 1995-08-02 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 (1 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-20130225578-A1 7-CYCLYLQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 ALDH1A1 4574/4885L3MBTL1 3033/4885MEN1 3010/4885

“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.