SCHEMBL4804946

SCHEMBL4804946

CN1CCN(CCCNCc2cn(Cc3ccc(F)cc3F)c3cnc(C(=O)NO)cc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.43
FSCN1 Q16658 1/20 0.39
DDR1 Q08345 1/20 0.38
DDR2 Q16832 1/20 0.38
HTR6 P50406 1/20 0.36
MET P08581 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK14 Q16539 1/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR1A P08908 2/20 0.35
DRD3 P35462 2/20 0.35
ACHE P22303 4/20 0.35
DRD2 P14416 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL4805408 0.90 KDM4E (0.39) FSCN1DDR1DDR2METHTR2A
SCHEMBL4799895 0.89 HTR6 (0.45) FSCN1DDR1DDR2HTR6KDM4E
SCHEMBL4808337 0.88 LMNA (0.40) DDR1DDR2SMN1; SMN2
SCHEMBL4806775 0.85 KDM4E (0.41) MEN1KMT2AFSCN1METACHE
SCHEMBL4808249 0.85 PKM (0.43) MEN1KMT2AFSCN1KDM4EGAA
SCHEMBL4800237 0.85 MEN1 (0.40) MEN1KMT2AFSCN1METKDM4E
SCHEMBL4801984 0.85 HDAC1 (0.37) MEN1KMT2AFSCN1METHDAC1
SCHEMBL4805424 0.83 FSCN1 (0.38) KMT2AFSCN1HDAC1
SCHEMBL4804480 0.83 BCHE (0.42) FSCN1DDR1DDR2METHTR2A
SCHEMBL4806136 0.83 ACKR3 (0.44) RAD52FSCN1METHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
WO-2007071684-A2 COMPOSITION FOR DYEING KERATIN FIBRES WITH A TETRAAZAPENTAMETHINE CATIONIC DIRECT DYE AND AN AMINO SILICONE L'ORÉAL (FR) 2007-06-28 WO claimed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP MEN1 4787/4885RAD52 3046/4885KMT2A 1367/4885

“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.