SCHEMBL14329646

SCHEMBL14329646

c1cc(-c2cc(-c3ccncc3)cc(-n3c4ccncc4c4c5ccc6cc7c(c8ccc(cc43)c5c68)c3cnccc3n7-c3cc(-c4ccncc4)cc(-c4ccncc4)c3)c2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.34
▸ AOC3 Q16853 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ TOP2A P11388 1/20 0.32
▸ PRKCH P24723 1/20 0.31
▸ PRKCE Q02156 1/20 0.31
▸ PRKCQ Q04759 1/20 0.31
▸ PRKCD Q05655 1/20 0.31
▸ DYRK1A Q13627 3/20 0.31
▸ NFATC1 O95644 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ HASPIN Q8TF76 1/20 0.31
▸ CLK1 P49759 1/20 0.31
▸ MAPK10 P53779 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30

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
SCHEMBL14329611 0.92 MAPK10 (0.39) MAPTCDC7CDK2TOP2ADYRK1A
SCHEMBL14330548 0.82 TNF (0.36) KCNH2AOC3MAPTCDC7CDK2
SCHEMBL14329624 0.81 TOP2A (0.42) TOP2A
SCHEMBL15865944 0.81 KIF11 (0.42) KCNH2AOC3PIK3CACYP19A1
SCHEMBL14329649 0.80 MAPK10 (0.42) TOP2AMAPK10CYP19A1
SCHEMBL14329633 0.78 L3MBTL1 (0.41) MAPTCDK2GSK3BMAPK10PIK3CD
SCHEMBL14331115 0.78 CYP19A1 (0.44) CDC7CYP19A1
SCHEMBL14329639 0.78 TOP2A (0.40) TOP2ADYRK1ACLK1MAPK10
SCHEMBL14330540 0.77 MAOA (0.40) TOP2AMAPK10
SCHEMBL14330563 0.77 MAPT (0.36) MAPTCDC7CDK2TOP2APRKCH

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-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-8771844-B2 Heterocyclic compound and organic light-emitting diode and flat display device including the heterocyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-08 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — US disclosed
US-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2012-12-27 — — 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-20120326135-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DIODE AND FLAT DISPLAY DEVICE INCLUDING THE HETEROCYCLIC COMPOUND DDT, DRD1, HTR3D KCNH2 2141/4885AOC3 143/4885MAPT 1026/4885

“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