SCHEMBL4069152

SCHEMBL4069152

Nc1ccc(NCCN2CCCC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.62
HRH4 Q9H3N8 1/20 0.62
NMT1 P30419 1/20 0.48
ACHE P22303 2/20 0.48
MAP4K4 O95819 1/20 0.46
TLR7 Q9NYK1 2/20 0.44
MAP3K11 Q16584 1/20 0.43
SIGMAR1 Q99720 5/20 0.42
KCNH2 Q12809 1/20 0.42
LTA4H P09960 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL12128778 0.87 HRH3 (0.66) HRH3HRH4NMT1ACHE
SCHEMBL3383793 0.87 ATR (0.51) HRH3HRH4
SCHEMBL2998111 0.81 NMT1 (0.48) HRH3HRH4NMT1ACHEMAP4K4
SCHEMBL1108663 0.81 NMT1 (0.54) HRH3HRH4NMT1ACHETLR7
SCHEMBL2320244 0.81 NMT1 (0.51) HRH3HRH4NMT1ACHEMAP3K11
SCHEMBL4520060 0.80 ACHE (0.50) HRH3HRH4NMT1ACHEMAP3K11
SCHEMBL1256229 0.80 NMT1 (0.53) HRH3HRH4NMT1ACHESIGMAR1
SCHEMBL14924463 0.80 NMT1 (0.56) HRH3HRH4NMT1ACHETLR7
SCHEMBL30639140 0.79 HRH4 (0.45) HRH3HRH4PTGS1
SCHEMBL11252790 0.79 HRH4 (0.45) HRH3HRH4PTGS1

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
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-1686130-B1 Pyrrolo[2,3-d]pyrimidine compounds as immunosuppressive agents PFIZER PROD INC (US) 2009-02-18 EP disclosed
US-20070161666-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2007-07-12 US disclosed
US-7192963-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC (US) 2007-03-20 US disclosed
EP-1686130-A1 Pyrrolo[2,3-d]pyrimidine compounds as immunosuppressive agents Pfizer Products Incorporated (US) 2006-08-02 EP disclosed
EP-1294724-B1 PYRROLO¬2,3-D|PYRIMIDINE COMPOUNDS AS IMMUNOSUPPRESSIVE AGENTS PFIZER PROD INC (US) 2006-04-19 EP disclosed
US-6962993-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2005-11-08 US disclosed
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds PFIZER INC. 2005-09-08 US disclosed
US-6696567-B2 INHIBITION OF PROTEIN KINASES OR JANUS KINASE 3; TREATING OR PREVENTING ORGAN TRANSPLANT REJECTION, XENO TRANSPLATION, LUPUS, MULTIPLE SCLEROSIS, RHEUMATOID ARTHRITIS, PSORIASIS, TYPE I DIABETES OR VARIOUS DISEASE COMPLICATIONS PFIZER INC. 2004-02-24 US disclosed
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2003-11-27 US disclosed
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-06-06 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 (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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK HRH3 72/4885HRH4 71/4885NMT1 783/4885
US-20030220353-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 HRH3 2568/4885HRH4 2445/4885NMT1 3611/4885
US-20050197349-A1 Pyrrolo[2,3-D]pyrimidine compounds CDK2, CDK3, JAK3 HRH3 1620/4885HRH4 1812/4885NMT1 3955/4885
US-20020068746-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, CDK2, JAK3 HRH3 2568/4885HRH4 2445/4885NMT1 3611/4885
US-20070161666-A1 Pyrrolo[2,3-d]pyrimidine compounds CDK2, CDK3, JAK3 HRH3 1620/4885HRH4 1812/4885NMT1 3955/4885

“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.