SCHEMBL14803585

SCHEMBL14803585

CC(C)N(C)c1ncccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.38
▸ CA2 P00918 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NISCH Q9Y2I1 1/20 0.31
▸ LATS1 O95835 1/20 0.31
▸ LATS2 Q9NRM7 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALOX5 P09917 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL14803892 0.81 KDM4E (0.38) CXCR4CA2ALDH1A1KDM4ETDP1
SCHEMBL14818774 0.76 NOS3 (0.42) CXCR4KDM4ELATS1LATS2CHRNB2
SCHEMBL14803588 0.75 ALDH1A1 (0.34) CXCR4CA2ALDH1A1KDM4EMETAP2
SCHEMBL14803703 0.75 HSD17B10 (0.42) CXCR4CA2ALDH1A1KDM4EMETAP2
SCHEMBL14803583 0.73 SMN1; SMN2 (0.36) CXCR4CA2ALDH1A1TDP1TSHR
SCHEMBL14803694 0.72 ALDH1A1 (0.38) CA2ALDH1A1KDM4EMETAP2TDP1
SCHEMBL14803705 0.72 GRM4 (0.41) ALDH1A1KDM4EMETAP2TDP1LMNA
SCHEMBL1106138 0.71 CA2 (0.38) CXCR4CA2ALDH1A1KDM4ETDP1
SCHEMBL17914518 0.69 ALDH1A1 (0.40) CXCR4CA2ALDH1A1KDM4ETDP1
SCHEMBL14803803 0.69 LRRK2 (0.46) ALDH1A1METAP2TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 — — US disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 — — US disclosed
US-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-28 — — 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-20130079337-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, COQ8A, CYP1A2 CXCR4 515/4885CA2 3490/4885ALDH1A1 88/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A CXCR4 496/4885CA2 3776/4885ALDH1A1 97/4885

“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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