SCHEMBL17030451

SCHEMBL17030451

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc3c2sc2ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
LIMK1 P53667 2/20 0.39
PIM1 P11309 3/20 0.37
PIM2 Q9P1W9 3/20 0.37
PIM3 Q86V86 3/20 0.37
HRH4 Q9H3N8 2/20 0.36
HTR2C P28335 1/20 0.35
TNKS O95271 2/20 0.35
TNKS2 Q9H2K2 2/20 0.35
TSPO P30536 1/20 0.34
PRKCI P41743 2/20 0.33
NPY5R Q15761 1/20 0.32
ACP1 P24666 2/20 0.32

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
SCHEMBL17030425 0.98 PIK3CA (0.40) PIK3CALIMK1PIM1PIM2PIM3
SCHEMBL16905707 0.92 PIK3CA (0.44) PIK3CALIMK1PIM1PIM2HRH4
SCHEMBL17087618 0.92 KDM4E (0.36) PIK3CALIMK1PIM1PIM2PIM3
SCHEMBL18273146 0.91 ACP1 (0.39) PIK3CAHRH4ACP1
SCHEMBL17087602 0.91 PIK3CA (0.34) PIK3CALIMK1PIM1PIM2PIM3
SCHEMBL17030462 0.90 PIK3CA (0.39) PIK3CAHRH4HTR2CTNKSTNKS2
SCHEMBL16905647 0.90 ATM (0.40) PIK3CALIMK1HRH4HTR2CTNKS
SCHEMBL23072406 0.90 PIK3CA (0.36) PIK3CALIMK1PIM1PIM2PIM3
SCHEMBL20670231 0.89 LIMK1 (0.41) PIK3CALIMK1PIM1PIM2PIM3
SCHEMBL20068440 0.89 PIK3CA (0.38) PIK3CAPIM1PIM2PIM3HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220115600-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-04-14 US disclosed
EP-2910555-B1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORP (US) 2019-03-27 EP disclosed
US-9502656-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-22 US disclosed
US-9502656-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-11-22 US disclosed
US-20150243893-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-27 US disclosed
US-20150243893-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-08-27 US disclosed
EP-2910555-A1 Organic electroluminescent materials and devices Universal Display Corporation (US) 2015-08-26 EP 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-20220115600-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING ORGANIC LIGHT-EMITTING DEVICE CYP1A1, AOX1, CYP2E1 PIK3CA 4346/4885LIMK1 261/4885PIM1 1169/4885

“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.