SCHEMBL2165289

SCHEMBL2165289

c1ccc2sc(-c3cn[nH]c3N3CCCC3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ILK Q13418 13/20 0.59
▸ KDM4E B2RXH2 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ JAK1 P23458 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41

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
SCHEMBL687627 0.75 ILK (1.00) ILKKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL686587 0.74 ILK (0.67) ILK
SCHEMBL2165092 0.71 ILK (0.68) ILKKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL2165278 0.71 ILK (1.00) ILKKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL2165274 0.71 ILK (1.00) ILKKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL4726069 0.71 APP (0.62) ILKKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL8394557 0.70 APP (0.63) ILKKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL31063781 0.70 APP (0.63) ILKKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL22672257 0.69 ILK (1.00) ILKKDM4ESMN1; SMN2MAPTALDH1A1
SCHEMBL30204295 0.69 ILK (1.00) ILKKDM4ESMN1; SMN2MAPTALDH1A1

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-8754233-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2014-06-17 — — US disclosed
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS DERMIRA (CANADA), INC. (US) 2013-09-12 — — US disclosed
US-8410272-B2 Pyrazolylbenzothiazole derivatives and their use as therapeutic agents DERMIRA (CANADA), INC. (US) 2013-04-02 — — US disclosed
US-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Valocor Therapeutics, Inc. (CA) 2011-07-21 — — 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-20110178126-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS REN, PGF, PKD1 ILK 1603/4885KDM4E 1780/4885SMN1; SMN2 4082/4885
US-20130237572-A1 PYRAZOLYLBENZOTHIAZOLE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS COXFA4L2, TYR, XDH ILK 4705/4885KDM4E 3729/4885SMN1; SMN2 4700/4885

“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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