SCHEMBL3977326

SCHEMBL3977326

Cc1ccc2cccnc2c1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.63
CCR1 P32246 4/20 0.58
CCR8 P51685 4/20 0.58
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.58
HTT P42858 4/20 0.58
CCR5 P51681 3/20 0.58
MMP2 P08253 2/20 0.58
TSHR P16473 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
HSP90AA1 P07900 2/20 0.58
GMNN O75496 1/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MMP9 P14780 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58
MMP8 P22894 1/20 0.58

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
SCHEMBL8404537 0.79 LMNA (0.68) LMNACCR1CCR8KDM4EMAPT
SCHEMBL4473876 0.78 LMNA (1.00) LMNACCR1CCR8KDM4EMAPT
SCHEMBL12932576 0.77 CCR1 (0.58) LMNACCR1CCR8KDM4EMAPT
SCHEMBL623096 0.76 LMNA (0.63) LMNACCR1CCR8KDM4EMAPT
SCHEMBL22026143 0.76 LMNA (0.63) LMNACCR1CCR8KDM4EMAPT
SCHEMBL23954442 0.76 LMNA (0.63) LMNACCR1CCR8KDM4EMAPT
SCHEMBL5546382 0.76 LMNA (0.63) LMNACCR1CCR8KDM4EMAPT
SCHEMBL10911576 0.76 LMNA (0.63) LMNACCR1CCR8KDM4EMAPT
SCHEMBL17962397 0.76 LMNA (0.63) LMNACCR1CCR8KDM4EMAPT
SCHEMBL4538171 0.76 LMNA (0.58) LMNACCR1CCR8KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12312337-B2 Compounds and methods for treating cancer ANTIDOTE IP HOLDINGS, LLC (US) 2025-05-27 US disclosed
CN-115572258-A C 2 Preparation method of axial chiral biquinoline framework compound 中国科学院成都有机化学有限公司 2023-01-06 CN disclosed
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2022-09-22 US disclosed
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC 2022-06-30 US disclosed
EP-4010328-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Domain Therapeutics (FR) 2022-06-15 EP disclosed
CN-114269730-A 5-heteroaryl-pyridin-2-amine compounds as neuropeptide FF receptor antagonists 多曼治疗学公司 2022-04-01 CN disclosed
EP-3966208-A2 COMPOUNDS AND METHODS FOR TREATING CANCER Antidote IP Holdings, LLC (US) 2022-03-16 EP disclosed
CN-111233859-B Organic compound, organic electroluminescent material and application thereof 武汉天马微电子有限公司 2021-11-19 CN disclosed
WO-2021023813-A1 5-HETEROARYL-PYRIDIN-2-AMINE CONFOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2021-02-11 WO disclosed
WO-2020231739-A2 COMPOUNDS AND METHODS FOR TREATING CANCER ANTIDOTE IP HOLDINGS, LLC (US) 2020-11-19 WO disclosed
CN-1980930-B 8- [ 3-amino-piperidin-1-yl ] -xanthines, their preparation and their use in the form of DPP-IV inhibitors BOEHRINGER INGELHEIM INT 2012-11-21 CN disclosed
CN-102199151-A 8-[3-amino-piperidin-1-yl]-xanthine, the production thereof and the use BOEHRINGER INGELHEIM INT 2011-09-28 CN disclosed
US-20110014121-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2011-01-20 US disclosed
EP-2119717-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2009-11-18 EP disclosed
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
EP-1758905-B1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR BOEHRINGER INGELHEIM INT (DE) 2009-04-29 EP disclosed
US-7501426-B2 8-[3-amino-piperidin-1-yl]-xanthines, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-10 US disclosed
CN-1980930-A 8- [ 3-amino-piperidin-1-yl ] -xanthines, their preparation and their use in the form of DPP-IV inhibitors BOEHRINGER INGELHEIM INT (DE) 2007-06-13 CN disclosed
EP-1758905-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DDP-IV INHIBITOR Boehringer Ingelheim International GmbH (DE) 2007-03-07 EP disclosed
WO-2005085246-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINE, THE PRODUCTION THEREOF AND THE USE IN THE FORM OF A DPP INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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 (5 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-20110014121-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 LMNA 4842/4885CCR1 19/4885CCR8 16/4885
US-20220204482-A1 COMPOUNDS AND METHODS FOR TREATING CANCER AHR, ARNT, HMOX1 LMNA 2478/4885CCR1 551/4885CCR8 1036/4885
US-20090137801-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP7 LMNA 2911/4885CCR1 807/4885CCR8 165/4885
US-12312337-B2 Compounds and methods for treating cancer AHR, ARNT, HMOX1 LMNA 2478/4885CCR1 551/4885CCR8 1036/4885
US-20220298135-A1 5-HETEROARYL-PYRIDIN-2-AMINE COMPOUNDS AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS NPFFR2, NPFFR1, OPRL1 LMNA 4712/4885CCR1 2083/4885CCR8 2885/4885

“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.