SCHEMBL558692

SCHEMBL558692

Clc1cc(-n2cncn2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP17A1 P05093 1/20 0.32
STING1 Q86WV6 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL3624554 0.86 PIM1 (0.43) PIM1MEN1KMT2AALDH1A1MAPT
SCHEMBL3627722 0.77 PIM1 (0.38) PIM1MEN1KMT2AALDH1A1MAPT
SCHEMBL14970142 0.77 PIM1 (0.38) PIM1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL558050 0.77 PIM1 (0.38) PIM1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3626874 0.77 PIM1 (0.38) PIM1MEN1KMT2AALDH1A1MAPT
SCHEMBL1163733 0.73 MEN1 (0.41) PIM1MEN1KMT2AALDH1A1MAPT
SCHEMBL2284478 0.73 KMO (0.51) PIM1MEN1KMT2AALDH1A1CYP1A2
SCHEMBL7263765 0.73 HRH4 (0.41) PIM1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13086864 0.73 PIM1 (0.36) PIM1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL9295292 0.73 PIM1 (0.36) PIM1ALDH1A1KDM4ESMN1; SMN2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-12-03 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2015-04-02 US disclosed
US-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL MYERS SQUIBB CO (US) 2014-08-07 US disclosed
WO-2008144062-A1 CSF-1R INHIBITORS, COMPOSITIONS, AND METHODS OF USE NOVARTIS AG (CH) 2008-11-27 WO disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 US disclosed
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 WO disclosed
US-7161018-B2 Soluble late transition metal catalysts for olefin oligomerizations II EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-01-09 US disclosed
EP-0430471-B1 Fungicides ZENECA LTD (GB) 1994-09-07 EP disclosed
US-5314892-A Fungicidal pyrimidinyloxyphenyl-3-methoxy propenoates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-05-24 US disclosed
US-5179098-A Substituted, methoxypropenoate pyrimidines, plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-01-12 US disclosed
EP-0430471-A1 Fungicides ZENECA LIMITED (GB) 1991-06-05 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 (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-20140221377-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 PIM1 4854/4885MEN1 3838/4885KMT2A 2891/4885
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 PIM1 439/4885MEN1 4271/4885KMT2A 3676/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PIM1 4854/4885MEN1 3838/4885KMT2A 2891/4885
US-20150342935-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PIM1 4854/4885MEN1 3838/4885KMT2A 2891/4885
US-20150094309-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 PIM1 4854/4885MEN1 3838/4885KMT2A 2891/4885

“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.