SCHEMBL14329643

SCHEMBL14329643

c1cnc2c(c1)c1c3ccc4cc5c(c6ccc(cc1n2-c1cc(-c2ccncc2)nc(-c2ccncc2)c1)c3c46)c1cccnc1n5-c1cc(-c2ccncc2)nc(-c2ccncc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PRKCH P24723 2/20 0.36
▸ PRKCE Q02156 2/20 0.36
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK10 P53779 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ MET P08581 2/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ MAP3K11 Q16584 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CFTR P13569 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ SYK P43405 1/20 0.31

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
SCHEMBL14331113 0.77 MAT2A (0.36) ALDH1A1TSHRCYP2C19
SCHEMBL14329634 0.75 RAB9A (0.44) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL14329638 0.74 AHR (0.35) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL14329631 0.72 MAT2A (0.36) HPGDCYP2C19CYP1A2
SCHEMBL14329633 0.72 L3MBTL1 (0.41) KDM4EMAPTTSHRMAPK10SMN1; SMN2
SCHEMBL14329644 0.71 NPC1 (0.33) ALDH1A1KDM4EMAPTHPGDPRKCH
SCHEMBL20426101 0.71 KDM4E (0.46) ALDH1A1KDM4EMAPTHPGDPRKCH
SCHEMBL18958310 0.71 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTTSHRCYP2C19
SCHEMBL14329618 0.70 KDM4E (0.33) KDM4EMAPTTSHRMAPK10SMN1; SMN2
SCHEMBL16751720 0.70 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRCYP2C19SYK

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 ALDH1A1 24/4885KDM4E 3157/4885MAPT 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.

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