SCHEMBL1762851

SCHEMBL1762851

CCc1cccc(CC)c1-c1cc2ccn(Cc3ccc(C)cc3)c2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
PPARG P37231 1/20 0.36
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
BRD4 O60885 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
SCHEMBL1762620 0.91 CYP11B1 (0.40) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1762935 0.88 HDAC8 (0.47) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1762662 0.88 F2R (0.40) KMT2AMAPTTP53PPARGMEN1
SCHEMBL1763011 0.87 KCNQ3 (0.47) KMT2ASMN1; SMN2MAPTPPARGALDH1A1
SCHEMBL1762595 0.86 TP53 (0.41) KMT2ASMN1; SMN2MAPTTP53MEN1
SCHEMBL1762843 0.85 MEN1 (0.41) KMT2ALMNACYP11B1CYP11B2MAPT
SCHEMBL1762908 0.84 KMT2A (0.39) POLBKMT2ACYP11B1CYP11B2MAPT
SCHEMBL1762997 0.84 CACNA1H (0.41) HDAC8HDAC6LMNACACNA1H
SCHEMBL1762663 0.82 PTGER4 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL1762928 0.81 MAPT (0.44) LMNASMN1; SMN2MAPTTP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633193-B2 Pyrrolo-pyridine, pyrrolo-pyrimidine and related heterocyclic compounds NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-05-19 US disclosed
US-7906528-B2 Such as 5-(2,6-diethyl-phenyl)-1H-pyrrolo[2,3-C]pyridine, which binds C5a receptors with high affinity; for treatment of inflammatory, cardiovascular, and immune system disorders; kits NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-15 US disclosed
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds NEUROGEN CORPORATION (US) 2008-10-30 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 (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-20110118273-A1 PYRROLO-PYRIDINE, PYRROLO-PYRIMIDINE AND RELATED HETEROCYCLIC COMPOUNDS C5AR1, C5AR2, C3AR1 HDAC3 2027/4885HDAC1 2391/4885HDAC2 2489/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 HDAC3 2027/4885HDAC1 2391/4885HDAC2 2489/4885

“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.