SCHEMBL1762569

SCHEMBL1762569

CCc1cccc(CC)c1-c1cc2ccn(C(=O)c3c(OC)ccc(Br)c3OC)c2cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.39
PTK2 Q05397 15/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
MEN1 O00255 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 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
SCHEMBL1762466 0.83 KMT2A (0.43) TUBB1MEN1KMT2A
SCHEMBL1762635 0.80 TUBB1 (0.43) TUBB1MEN1KMT2A
SCHEMBL1762469 0.78 HCRTR1 (0.39) MEN1KMT2AKCNH2
SCHEMBL1762561 0.77 TACR3 (0.46)
SCHEMBL1762746 0.76 TSHR (0.47) HTR1AKMT2A
SCHEMBL4580311 0.73 MAPT (0.41) MEN1KMT2A
SCHEMBL1762839 0.72 PPARG (0.39) MEN1KMT2A
SCHEMBL1762597 0.72 SMN1; SMN2 (0.39) KMT2A
SCHEMBL4580934 0.70 RXFP1 (0.46) MEN1KMT2A
SCHEMBL1762705 0.70 LMNA (0.42) MEN1KMT2A

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 TUBB1 4610/4885PTK2 1795/4885TUBB4A 4203/4885
US-20080267887-A1 Pyrrolo-Pyridine, Pyrrolo-Pyrimidine and Related Heterocyclic Compounds C5AR1, C5AR2, C3AR1 TUBB1 4610/4885PTK2 1795/4885TUBB4A 4203/4885

“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.