SCHEMBL14475261

SCHEMBL14475261

CCOc1cc(-c2ccccc2F)cc2c(NC)nc(-c3ccnnc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.41
▸ S1PR3 Q99500 2/20 0.41
▸ HSD17B10 Q99714 4/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PIP4K2A P48426 1/20 0.33
▸ GRM5 P41594 2/20 0.33

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
SCHEMBL14474678 0.93 S1PR1 (0.40) S1PR1S1PR3HSD17B10KDM4ESMN1; SMN2
SCHEMBL14474687 0.90 S1PR1 (0.40) S1PR1S1PR3LMNAGRM5CHRNA7
SCHEMBL16185159 0.90 S1PR1 (0.40) S1PR1S1PR3SMN1; SMN2LMNAGRM5
SCHEMBL16185125 0.89 CYP1A2 (0.42) S1PR1HSD17B10KDM4ESMN1; SMN2HPGD
SCHEMBL16184850 0.89 HSD17B10 (0.47) S1PR1HSD17B10KDM4ENPSR1HPGD
SCHEMBL16185128 0.87 GRM5 (0.41) HSD17B10KDM4ESMN1; SMN2NPSR1HPGD
SCHEMBL16185127 0.87 KDM4E (0.37) S1PR1S1PR3HSD17B10KDM4ESMN1; SMN2
SCHEMBL16185143 0.86 S1PR1 (0.46) S1PR1S1PR3SMN1; SMN2LMNAGRM5
SCHEMBL16185169 0.86 S1PR1 (0.43) S1PR1S1PR3HSD17B10SMN1; SMN2CYP1A2
SCHEMBL16185139 0.85 GRM5 (0.47) S1PR1S1PR3HSD17B10CYP1A2CYP3A4

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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB S1PR1 3969/4885S1PR3 4253/4885HSD17B10 2670/4885

“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.

Send feedback