SCHEMBL711568

SCHEMBL711568

Cc1nc(-c2[c]cccc2)nn1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.38
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
FCGR1A P12314 1/20 0.35
HPGD P15428 4/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MPO P05164 1/20 0.33
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6308441 0.86 KDM4A (0.45) KDM4AMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL14007393 0.76 NPC1 (0.52) KDM4ASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL711569 0.76 NPC1 (0.41) KDM4AMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL18136489 0.70 SMN1; SMN2 (0.46) MAPK1SMN1; SMN2CYP1A2CYP2C19NPC1
SCHEMBL19196303 0.70 NPC1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6560962 0.70 KDM4A (0.74) KDM4AHPGDKDM4EALDH1A1MAPT
SCHEMBL23859948 0.68 KDM4A (0.43) KDM4AMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL9465149 0.68 KDM4A (0.37) KDM4AMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL20110257 0.68 CCR1 (0.44) KDM4AMAPK1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL20110259 0.68 KDM4E (0.40) KDM4AMAPK1SMN1; SMN2CYP1A2CYP2C19

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-8771843-B2 Fluorene derivative, organic compound, and light-emitting element, light-emitting device, and electronic device using the compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2014-07-08 US disclosed
US-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-01 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 (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-20120049768-A1 Fluorene Derivative, Organic Compound, and Light-Emitting Element, Light-Emitting Device, and Electronic Device Using the Compound AFF2, MAPRE2, AFF4 KDM4A 4229/4885MAPK1 2641/4885SMN1; SMN2 4102/4885

“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.