SCHEMBL9925290

SCHEMBL9925290

Cc1ccc(CCNC(=O)CCl)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.62
▸ POLB P06746 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ NPC1 O15118 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ LMNA P02545 1/20 0.57
▸ CNR1 P21554 1/20 0.56
▸ EPHX2 P34913 1/20 0.56
▸ PLAAT3 P53816 2/20 0.54
▸ PLAAT5 Q96KN8 2/20 0.54
▸ PLAAT2 Q9NWW9 2/20 0.54
▸ PLAAT4 Q9UL19 2/20 0.54

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
SCHEMBL2792326 0.85 HPGD (0.54) HPGDLMNA
SCHEMBL660115 0.85 HPGD (0.62) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL6289160 0.85 HPGD (0.62) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL6289159 0.85 HPGD (0.62) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL11731507 0.83 KMT2A (0.65) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL5574769 0.83 LMNA (0.66) HPGDKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2191045 0.83 KDM4E (0.65) NPC1RAB9ASMN1; SMN2LMNAPLAAT3
SCHEMBL4584283 0.82 NPC1 (0.64) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL16681873 0.82 NPC1 (0.74) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL17335855 0.82 HPGD (0.73) HPGDPOLBKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944635-B2 Deuterated pyrazino[2,1-a]isoquinoline compounds and methods of treatment using the same CONCERT PHARMACEUTICALS, INC. (US) 2018-04-17 — — US disclosed
US-20160083385-A1 PYRAZINOISOQUINOLINE COMPOUNDS SUN PHARMACEUTICAL INDUSTRIES, INC. 2016-03-24 — — US disclosed
US-20160060263-A1 PYRAZINOISOQUINOLINE COMPOUNDS CONCERT PHARMACEUTICALS, INC. 2016-03-03 — — US disclosed
US-9206179-B2 Methods of use comprising deuterated pyrazino[2,1-a]isoquinolines CONCERT PHARMACEUTICALS, INC. (US) 2015-12-08 — — US disclosed
US-9199986-B2 Deuterated pyrazino[2,1-a]isoquinolines for the treatment of diseases and/or conditions CONCERT PHARMACEUTICALS, INC. (US) 2015-12-01 — — US disclosed
US-20150141431-A1 PYRAZINOISOQUINOLINE COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2015-05-21 — — US disclosed
US-8889687-B2 Deuterated pyrazinoisoquinoline compounds CONCERT PHARMACEUTICALS, INC. (US) 2014-11-18 — — US disclosed
US-20140107127-A1 PYRAZINOISOQUINOLINE COMPOUNDS SUN PHARMACEUTICAL INDUSTRIES, INC. 2014-04-17 — — US disclosed
US-8563554-B2 Deuterated pyrazinoisoquinoline compounds CONCERT PHARMACEUTICALS, INC. (US) 2013-10-22 — — US disclosed
US-20130029997-A1 PYRAZINOISOQUINOLINE COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2013-01-31 — — US disclosed
US-20120149709-A1 PYRAZINOISOQUINOLINE COMPOUNDS CONCERT PHARMACEUTICALS, INC. (US) 2012-06-14 — — 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 (6 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-20150141431-A1 PYRAZINOISOQUINOLINE COMPOUNDS H1-5, MTX2, H1-4 HPGD 918/4885POLB 2573/4885KMT2A 761/4885
US-20130029997-A1 PYRAZINOISOQUINOLINE COMPOUNDS H1-5, MTX2, H1-4 HPGD 918/4885POLB 2573/4885KMT2A 761/4885
US-20140107127-A1 PYRAZINOISOQUINOLINE COMPOUNDS ACHE, ABCC5, ABCC2 HPGD 887/4885POLB 3431/4885KMT2A 1887/4885
US-20160060263-A1 PYRAZINOISOQUINOLINE COMPOUNDS P2RX5, ABCC5, ABCC2 HPGD 718/4885POLB 3001/4885KMT2A 1972/4885
US-20120149709-A1 PYRAZINOISOQUINOLINE COMPOUNDS P2RX5, ABCC5, ABCC2 HPGD 718/4885POLB 3001/4885KMT2A 1972/4885
US-20160083385-A1 PYRAZINOISOQUINOLINE COMPOUNDS H1-5, MTX2, H1-4 HPGD 918/4885POLB 2573/4885KMT2A 761/4885

“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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