SCHEMBL783005

SCHEMBL783005

Nc1cc(-c2cccnc2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 1/20 0.64
▸ MEN1 O00255 1/20 0.61
▸ PSIP1 O75475 1/20 0.61
▸ AXL P30530 1/20 0.61
▸ MKNK1 Q9BUB5 1/20 0.61
▸ MKNK2 Q9HBH9 1/20 0.61
▸ CYP2A6 P11509 6/20 0.58
▸ CYP3A4 P08684 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ DYRK1A Q13627 5/20 0.55
▸ DYRK1B Q9Y463 4/20 0.55
▸ HSP90AA1 P07900 1/20 0.51
▸ HSP90AB1 P08238 1/20 0.51
▸ PTK2 Q05397 1/20 0.51
▸ PIK3CA P42336 2/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP2B6 P20813 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP17A1 P05093 1/20 0.50

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
SCHEMBL30269889 1.00 PIK3C3 (0.64) PIK3C3MEN1PSIP1AXLMKNK1
SCHEMBL31349414 1.00 PIK3C3 (0.64) PIK3C3MEN1PSIP1AXLMKNK1
SCHEMBL4402187 0.81 DYRK1A (0.63) PIK3C3MEN1MKNK1MKNK2DYRK1A
SCHEMBL30935767 0.81 DYRK1A (0.63) PIK3C3MEN1MKNK1MKNK2DYRK1A
SCHEMBL18745793 0.80 DYRK1A (0.50) PIK3C3MEN1MKNK1MKNK2CYP2A6
SCHEMBL20764798 0.80 PIK3C3 (1.00) PIK3C3MEN1PSIP1AXLMKNK1
SCHEMBL1836488 0.79 DYRK1A (0.58) PIK3C3MEN1MKNK1MKNK2DYRK1A
SCHEMBL29432628 0.79 DYRK1A (0.58) PIK3C3MEN1MKNK1MKNK2DYRK1A
Hydrochloric Acid SCHEMBL10461111 0.79 DYRK1A (0.61) PIK3C3MEN1MKNK1MKNK2DYRK1A
SCHEMBL1760672 0.78 CYP2A6 (0.68) MEN1PSIP1AXLMKNK1MKNK2

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246963-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-05-31 — — EP disclosed
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 — — CN disclosed
EP-3301097-B1 [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) SAMSUNG DISPLAY CO LTD (KR) 2020-08-19 — — EP disclosed
CN-110818683-A 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2020-02-21 — — CN disclosed
EP-3301097-A2 [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) Samsung Display Co., Ltd. (KR) 2018-04-04 — — EP disclosed
EP-3185330-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-06-28 — — EP disclosed
EP-3185329-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-06-28 — — EP disclosed
EP-3185328-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-06-28 — — EP disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 — — US disclosed
EP-2666768-B1 Condensed-cyclic compound and organic light-emitting diode comprising the same SAMSUNG DISPLAY CO LTD (KR) 2016-12-21 — — EP disclosed
EP-1737459-B1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2009-08-05 — — EP disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 — — US disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 — — US disclosed
US-7563788-B2 Substituted Imidazo[1,2-a]pyridines as Antibacterial Agents PFIZER INC. (US) 2009-07-21 — — US disclosed
WO-2008121687-A2 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-09 — — WO disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 — — US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 — — US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 — — US disclosed
EP-1737459-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2007-01-03 — — EP disclosed
WO-2005089763-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-09-29 — — 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 (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-20070191394-A1 Antibacterial agents MRPL21, RPN2, FBL PIK3C3 1672/4885MEN1 2732/4885PSIP1 2061/4885

“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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