SCHEMBL2176010

SCHEMBL2176010

C#CC(C)(C)Nc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HTT P42858 2/20 0.39
▸ PYCR1 P32322 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ RAPGEF4 Q8WZA2 1/20 0.33

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
SCHEMBL25249405 0.79 POLB (0.46) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL19260247 0.79 ALDH1A1 (0.39) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL6336580 0.78 CCNB2 (0.46) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL12233464 0.75 POLB (0.53) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL22600052 0.67 POLB (0.42) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL1038456 0.67 HPGD (0.52) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL9231418 0.65 POLB (0.44) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL9232556 0.63 POLB (0.42) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL9229082 0.63 MAPT (0.47) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL7843630 0.62 ELANE (0.39) KMT2AMEN1NPC1RAB9APYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 — — US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 — — US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 — — US disclosed
EP-1971598-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-24 — — EP disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 — — US disclosed
WO-2007061670-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 — — WO disclosed
US-5401848-A Indane and quinoline derivatives E. R. SQUIBB & SONS, INC. (US) 1995-03-28 — — US disclosed
EP-0488616-A1 Indane and quinoline derivatives E.R. SQUIBB & SONS, INC. (US) 1992-06-03 — — EP 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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP POLB 1966/4885KMT2A 3192/4885MEN1 3260/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP POLB 1966/4885KMT2A 3192/4885MEN1 3260/4885

“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.

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