SCHEMBL12440280

SCHEMBL12440280

Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3ccc(CCN4CCCC4)cc3)c2)c2cccnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.40
RET P07949 1/20 0.40
ACP1 P24666 2/20 0.39
DRD4 P21917 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
LTA4H P09960 1/20 0.37
CHEK1 O14757 1/20 0.37
ACHE P22303 1/20 0.37
CYP2C9 P11712 1/20 0.36
PRCP P42785 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
SMYD2 Q9NRG4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CDK1 P06493 1/20 0.35
KDR P35968 1/20 0.35
AVPR1B P47901 1/20 0.35

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
SCHEMBL19791573 0.99 ACP1 (0.41) MCHR1RETACP1DRD4DRD2
SCHEMBL19791445 0.95 MCHR1 (0.42) MCHR1RETACP1DRD4DRD2
SCHEMBL12440257 0.93 TNIK (0.42) DRD4DRD2HTR2ASCN2ASCN10A
SCHEMBL13834517 0.92 SLC6A3 (0.38) RETACP1DRD4DRD2HTR2A
SCHEMBL19791749 0.91 RET (0.41) RETDRD4DRD2HRH3LTA4H
SCHEMBL12441219 0.88 ACHE (0.44) MCHR1HTR2ALTA4HACHEKDR
SCHEMBL19791572 0.88 KDR (0.39) MCHR1SCN2ASCN10AKDR
SCHEMBL2320748 0.85 MET (0.40) MCHR1ACP1DRD4KDR
SCHEMBL12440260 0.84 WNT1 (0.46) HRH3LTA4HAVPR1B
SCHEMBL13835010 0.83 IDO1 (0.38) RETACP1HRH3SUCNR1CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
EP-2531500-B1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2018-01-24 EP disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912216-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2014-02-06 US disclosed
US-8614226-B2 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2013-12-24 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives MERCK PATENT GMBH (DE) 2012-11-22 US disclosed
WO-2011095196-A1 HETARYL-[1,8]NAPHTHYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-11 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 (2 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-20140038960-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MCHR1 4349/4885RET 3574/4885ACP1 4054/4885
US-20120295902-A1 Hetaryl-[1,8]naphthyridine derivatives ATP5F1A, ATP5ME, ATP5F1D MCHR1 4349/4885RET 3574/4885ACP1 4054/4885

“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.