SCHEMBL14770738

SCHEMBL14770738

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4oc5ccc(-n6c7ccccc7c7ccccc76)cc5c4c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.40
ALDH1A1 P00352 8/20 0.40
MAPT P10636 8/20 0.40
MEN1 O00255 7/20 0.40
HPGD P15428 7/20 0.40
NTSR1 P30989 1/20 0.40
KDM4E B2RXH2 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.36
CHEK2 O96017 1/20 0.35
AHR P35869 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
NPC1 O15118 1/20 0.34
HCRTR1 O43613 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL14867920 0.97 MAPT (0.38) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL14867924 0.95 KMT2A (0.40) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL9890099 0.95 KMT2A (0.40) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL9890345 0.94 MAPT (0.39) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL21431766 0.94 KMT2A (0.36) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL16185671 0.94 KDM4E (0.41) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL24216067 0.93 KMT2A (0.37) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL14770737 0.93 MAPT (0.41) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL9890534 0.93 MAPT (0.40) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL15248710 0.92 KDM4E (0.41) KMT2AALDH1A1MAPTMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604972-B2 Nitrogen-containing heteroaromatic ring compound IDEMITSU KOSAN CO., LTD. (JP) 2017-03-28 US disclosed
US-9604972-B2 Nitrogen-containing heteroaromatic ring compound IDEMITSU KOSAN CO., LTD. (JP) 2017-03-28 US disclosed
US-20130062597-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2013-03-14 US disclosed
US-20130062597-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2013-03-14 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-20130062597-A1 NITROGEN-CONTAINING HETEROAROMATIC RING COMPOUND TDO2, AHR, NOC2L KMT2A 382/4885ALDH1A1 1903/4885MAPT 2242/4885

“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.