SCHEMBL4908113

SCHEMBL4908113

c1ccc(-c2cccc(Nc3cccnc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.57
KDR P35968 1/20 0.56
KMT2A Q03164 4/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 3/20 0.51
MAPT P10636 2/20 0.51
PDE5A O76074 2/20 0.50
RAD52 P43351 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
NAMPT P43490 1/20 0.50
JAK2 O60674 1/20 0.50
JAK3 P52333 1/20 0.50
SYK P43405 3/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TLR4 O00206 1/20 0.48

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
SCHEMBL29666524 0.89 CYP1A2 (0.56) KIF11KDRKMT2ANPC1RAB9A
SCHEMBL14704101 0.89 CYP1A2 (0.56) KIF11KDRKMT2ANPC1RAB9A
SCHEMBL17194813 0.88 CYP1A2 (0.55) KIF11KDRKMT2ANPC1RAB9A
SCHEMBL26631847 0.85 NPC1 (0.57) KIF11KDRKMT2ANPC1RAB9A
SCHEMBL3925320 0.85 KDR (0.47) KIF11KDRKMT2ANPC1RAB9A
SCHEMBL28226643 0.83 NOTUM (0.60) KIF11KMT2AMEN1MAPTLMNA
SCHEMBL4591751 0.82 KMT2A (0.61) KIF11KDRKMT2ANPC1RAB9A
SCHEMBL29845262 0.82 KMT2A (0.61) KIF11KDRKMT2ANPC1RAB9A
SCHEMBL29501296 0.82 ALDH1A1 (0.67) KMT2AMEN1MAPTLMNAGAA
SCHEMBL3181560 0.82 ALDH1A1 (0.67) KMT2AMEN1MAPTLMNAGAA

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-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-11711973-B2 Organic electronic device DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-20230111469-A1 Organic Electronic Device DUK SAN NEOLUX CO., LTD. (KR) 2023-04-13 US disclosed
US-20210376241-A1 AMINE-SUBSTITUTED NAPHTHALENE DERIVATIVES AND ORGANIC LIGHT EMITTING DIODES INCLUDING THE SAME SFC CO., LTD. (KR) 2021-12-02 US disclosed
US-20190140177-A1 AMINE-SUBSTITUTED NAPHTHALENE DERIVATIVES AND ORGANIC LIGHT EMITTING DIODES INCLUDING THE SAME SFC CO., LTD. (KR) 2019-05-09 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 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 (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-20210376241-A1 AMINE-SUBSTITUTED NAPHTHALENE DERIVATIVES AND ORGANIC LIGHT EMITTING DIODES INCLUDING THE SAME ARNT, SUN2, SLC7A5 KIF11 1069/4885KDR 1396/4885KMT2A 524/4885
US-20190140177-A1 AMINE-SUBSTITUTED NAPHTHALENE DERIVATIVES AND ORGANIC LIGHT EMITTING DIODES INCLUDING THE SAME ARNT, SUN2, SLC7A5 KIF11 1069/4885KDR 1396/4885KMT2A 524/4885

“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.