SCHEMBL13353048

SCHEMBL13353048

C#Cc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
GAA P10253 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 2/20 0.57
PTK2B Q14289 2/20 0.57
KMT2A Q03164 2/20 0.57
ADRA2C P18825 1/20 0.57
GFER P55789 1/20 0.57
ESR2 Q92731 1/20 0.57
AKR1C3 P42330 1/20 0.53
SIRT6 Q8N6T7 1/20 0.49
CHEK1 O14757 1/20 0.48
CHKA P35790 1/20 0.46
HTR3A P46098 1/20 0.46
LMNA P02545 2/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL14661848 0.84 L3MBTL3 (0.53) MAPTGAAKDM4EALDH1A1PTK2B
SCHEMBL578312 0.81 AKR1C3 (0.53) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL28704374 0.81 AKR1C3 (0.53) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL518966 0.80 MAPT (0.57) MAPTGAAKDM4EALDH1A1PTK2B
SCHEMBL20639815 0.80 AKR1C3 (0.53) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL151261 0.80 CHEK1 (0.68) MAPTGAAKDM4EALDH1A1PTK2B
SCHEMBL7496780 0.80 KDM4E (0.57) MAPTGAAKDM4EALDH1A1PTK2B
SCHEMBL1136937 0.79 ALDH1A1 (0.52) MAPTGAAKDM4EALDH1A1KMT2A
SCHEMBL14662527 0.78 ADRA2C (0.59) MAPTGAAKDM4EALDH1A1PTK2B
SCHEMBL4552322 0.78 AKR1C3 (0.68) MAPTKDM4EALDH1A1KMT2AAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024083886-A1 RNA-BINDING MOLECULES WITH A SMALL CORE SCAFFOLD (R-SCORE) AND USES THEREOF MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2024-04-25 WO disclosed
EP-4357343-A1 RNA-BINDING MOLECULES WITH A SMALL CORE SCAFFOLD (R-SCORE) AND USES THEREOF Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2024-04-24 EP disclosed
US-11608334-B2 Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof The National Institutes of Pharmaceutical R&D Co., Ltd. (CN) 2023-03-21 US disclosed
CN-110072865-B Pyrrolo-aromatic heterocyclic compounds, preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-02-11 CN disclosed
EP-3556761-B1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RES AND DEVELOPMENT NIP (CN) 2021-03-03 EP disclosed
EP-3556761-B1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RES AND DEVELOPMENT NIP (CN) 2021-03-03 EP disclosed
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RESEARCH AND DEVELOPMENT (NIP) (CN) 2020-02-27 US disclosed
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RESEARCH AND DEVELOPMENT (NIP) (CN) 2020-02-27 US disclosed
EP-3556761-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF The National Institutes Of Pharmaceutical Research (CN) 2019-10-23 EP disclosed
EP-3556761-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF The National Institutes Of Pharmaceutical Research (CN) 2019-10-23 EP disclosed
CN-110072865-A Pyrrolo- heteroaromatic class compound and preparation method thereof and medical usage 中国医药研究开发中心有限公司 2019-07-30 CN disclosed
EP-2736514-B1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2017-10-18 EP disclosed
US-8912200-B2 Alkynyl substituted pyrimidinyl-pyrroles active as kinases inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-12-16 US disclosed
US-20140194406-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-07-10 US disclosed
EP-2736514-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2014-06-04 EP disclosed
WO-2013014039-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-01-31 WO disclosed
US-20100127210-A1 LIQUID CRYSTAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-05-27 US disclosed
US-7708907-B1 Liquid crystal compounds and liquid crystal compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-05-04 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 (4 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-20100127210-A1 LIQUID CRYSTAL COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME C5, F12, CXCR1 MAPT 2796/4885GAA 4666/4885KDM4E 3979/4885
US-11608334-B2 Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof BTK, SYK, ITK MAPT 3939/4885GAA 2905/4885KDM4E 1019/4885
US-20140194406-A1 ALKYNYL SUBSTITUTED PYRIMIDINYL-PYRROLES ACTIVE AS KINASES INHIBITORS JAK2, JAK1, SRC MAPT 2734/4885GAA 1320/4885KDM4E 915/4885
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF BTK, SYK, ITK MAPT 3939/4885GAA 2905/4885KDM4E 1019/4885

“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.