SCHEMBL16896961

SCHEMBL16896961

Cc1ccc2nc(NC(=O)Cc3ccc(N(C)C)cc3)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 6/20 0.65
▸ RAB9A P51151 7/20 0.64
▸ NPC1 O15118 6/20 0.64
▸ ALDH1A1 P00352 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ MAPT P10636 2/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ LMNA P02545 3/20 0.61
▸ TP53 P04637 2/20 0.61
▸ ACP1 P24666 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ MITF O75030 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ DYRK1A Q13627 1/20 0.58
▸ STAT1 P42224 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.54
▸ CLK1 P49759 1/20 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
SCHEMBL18213688 0.91 RAB9A (0.77) CSNK1DRAB9ANPC1ALDH1A1KMT2A
SCHEMBL16896937 0.87 CSNK1D (0.69) CSNK1DRAB9ANPC1ALDH1A1KMT2A
SCHEMBL16896899 0.86 CSNK1D (0.67) CSNK1DRAB9ANPC1ALDH1A1KMT2A
SCHEMBL14189668 0.86 CSNK1D (0.77) CSNK1DRAB9ANPC1ALDH1A1KMT2A
SCHEMBL15112849 0.80 CSNK1D (0.70) CSNK1DRAB9ANPC1ALDH1A1KMT2A
SCHEMBL15489027 0.79 CSNK1D (0.69) CSNK1DRAB9ANPC1ALDH1A1KMT2A
SCHEMBL14189669 0.79 RAB9A (0.74) CSNK1DRAB9ANPC1ALDH1A1KMT2A
SCHEMBL14189673 0.79 RAB9A (0.70) CSNK1DRAB9ANPC1ALDH1A1KMT2A
SCHEMBL14189670 0.79 CSNK1D (0.70) CSNK1DRAB9ANPC1ALDH1A1KMT2A
SCHEMBL17287704 0.79 CSNK1D (1.00) CSNK1DRAB9ANPC1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944648-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-04-17 — — US disclosed
US-9944648-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-04-17 — — US disclosed
US-9944648-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-04-17 — — US disclosed
US-20170190703-A9 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2017-07-06 — — US disclosed
US-20170190703-A9 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2017-07-06 — — US disclosed
US-20170190703-A9 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2017-07-06 — — US disclosed
EP-3091982-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2016-11-16 — — EP disclosed
US-20160326179-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-10 — — US disclosed
US-20160326179-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-10 — — US disclosed
US-20160326179-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2016-11-10 — — US disclosed
WO-2015106158-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2015-07-16 — — WO disclosed
WO-2015106158-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2015-07-16 — — 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 (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-20170190703-A9 ORGANIC COMPOUNDS PSEN1, CKMT1A; CKMT1B, GSK3A CSNK1D 20/4885RAB9A 4386/4885NPC1 396/4885
US-20160326179-A1 ORGANIC COMPOUNDS PSEN1, CKMT1A; CKMT1B, GSK3A CSNK1D 20/4885RAB9A 4386/4885NPC1 396/4885

“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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