SCHEMBL6957541

SCHEMBL6957541

CC(C)Nc1ccc(OCc2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PARP10 Q53GL7 1/20 0.51
CYP3A4 P08684 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAOB P27338 1/20 0.48
ADAMTS4 O75173 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SYK P43405 4/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX5 P09917 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 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
SCHEMBL6977226 0.83 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2PARP10CYP3A4
SCHEMBL22967626 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ESMN1; SMN2PARP10CYP3A4
SCHEMBL23537856 0.80 SMN1; SMN2 (0.58) ALDH1A1KDM4ESMN1; SMN2PARP10CYP3A4
SCHEMBL22967390 0.80 KDM4E (0.58) ALDH1A1KDM4ESMN1; SMN2PARP10CYP3A4
SCHEMBL9304271 0.80 PARP10 (0.59) ALDH1A1KDM4ESMN1; SMN2PARP10CYP3A4
SCHEMBL16638704 0.80 KDM4E (0.58) ALDH1A1KDM4ESMN1; SMN2PARP10CYP3A4
SCHEMBL1193236 0.79 PARP10 (0.59) ALDH1A1KDM4ESMN1; SMN2PARP10CYP1A2
SCHEMBL22967405 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2PARP10CYP3A4
Hydrochloric Acid SCHEMBL128810 0.78 PARP10 (0.57) ALDH1A1KDM4ESMN1; SMN2PARP10CYP3A4
SCHEMBL6957850 0.78 ERBB2 (0.56) SYK

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
US-11548900-B2 Oxazino-quinazoline and oxazino-quinoline type compound, preparation method and uses thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2023-01-10 US disclosed
US-20210040114-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINOLINE TYPE COMPOUND, PREPARATION METHOD AND USES THEREOF ACCSALUS BIOSCIENCES LIMITED (VG) 2021-02-11 US disclosed
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 ALDH1A1 4593/4885KDM4E 2805/4885SMN1; SMN2 4182/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 ALDH1A1 4593/4885KDM4E 2805/4885SMN1; SMN2 4182/4885
US-11548900-B2 Oxazino-quinazoline and oxazino-quinoline type compound, preparation method and uses thereof WNK1, WNK2, WNK3 ALDH1A1 1467/4885KDM4E 2166/4885SMN1; SMN2 3866/4885
US-20210040114-A1 OXAZINO-QUINAZOLINE AND OXAZINO-QUINOLINE TYPE COMPOUND, PREPARATION METHOD AND USES THEREOF WNK1, WNK2, WNK3 ALDH1A1 1467/4885KDM4E 2166/4885SMN1; SMN2 3866/4885

“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.