SCHEMBL6180706

SCHEMBL6180706

CCCCCNc1nc(Cl)nc(CCCCC)n1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
LMNA P02545 1/20 0.48
KCNH3 Q9ULD8 2/20 0.46
NR1I2 O75469 1/20 0.44
AHR P35869 1/20 0.44
PKM P14618 1/20 0.40
RAD52 P43351 1/20 0.40
DNM2 P50570 5/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SLC29A1 Q99808 1/20 0.37

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
SCHEMBL7100653 0.89 KMT2A (0.80) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL20814429 0.88 KMT2A (0.54) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL11787843 0.88 KMT2A (0.83) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL7862893 0.88 KMT2A (0.83) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL20694824 0.86 KMT2A (0.81) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL616128 0.86 KMT2A (0.74) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL20680484 0.84 KMT2A (0.78) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL17563553 0.84 KMT2A (0.77) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL1562316 0.84 KMT2A (0.77) KMT2ALMNAKCNH3NR1I2AHR
SCHEMBL7937257 0.84 KMT2A (0.77) KMT2ALMNAKCNH3NR1I2AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126843-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-15 EP disclosed
EP-1448187-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL MYERS SQUIBB CO (US) 2005-05-25 EP disclosed
EP-1448187-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME Bristol-Myers Squibb Company (US) 2004-08-25 EP disclosed
US-6596747-B2 For therapy of diseases associdated with Factor VIIa and or inosine monophosphate dehydrogenase (IMPDH) BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed
WO-2003047512-A2 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
US-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US disclosed
US-6399773-B1 AUTOIMMUNE DISEASE; TRANSPLANTING ORGANS BRISTOL-MYERS SQUIBB CO. 2002-06-04 US disclosed
EP-1126843-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 EP disclosed
WO-2000025780-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 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 (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-20020143176-A1 Compounds derived from an amine nucleus and pharmaceutical compositions comprising same IMPDH1, IMPDH2, IMPA1 KMT2A 2006/4885LMNA 417/4885KCNH3 2892/4885

“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.