SCHEMBL1703715

SCHEMBL1703715

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(-c4cnc5sc(N)nc5c4)c3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 4/20 0.54
LCK P06239 4/20 0.53
CSF1R P07333 4/20 0.53
ABL1 P00519 5/20 0.53
KIT P10721 6/20 0.49
EGFR P00533 2/20 0.48
KDR P35968 1/20 0.48
ERBB4 Q15303 1/20 0.48
MAPK14 Q16539 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BCR P11274 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC1 Q13547 2/20 0.44
MEN1 O00255 1/20 0.43
KLK7 P49862 1/20 0.43
KMT2A Q03164 1/20 0.43
ERBB2 P04626 1/20 0.42

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
SCHEMBL1703596 0.86 MAPK1 (0.59) ABL1EGFRMAPK14MAPTHCK
SCHEMBL1705288 0.81 MAPK14 (0.57) MAPK14NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10159643 0.80 TRPV1 (0.48) LCKABL1KITKDRMAPK14
SCHEMBL1704606 0.78 ABL1 (0.49) CSF1RABL1MAPK14NPC1RAB9A
SCHEMBL1705324 0.78 ABL1 (0.43) ABL1KITMAPK14NPC1RAB9A
SCHEMBL10158099 0.76 ABL1 (0.58) ABL1KITKDRMAPK14MAPT
SCHEMBL1704882 0.76 MAPK14 (0.68) LCKCSF1RKDRMAPK14BRAF
SCHEMBL1705565 0.75 LCK (0.65) DDR2LCKCSF1RABL1KIT
SCHEMBL31620769 0.75 ABL1 (0.70) DDR2LCKCSF1RABL1KIT
SCHEMBL1696213 0.74 LDHA (0.41) LCKMAPK14NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 US disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 US disclosed
WO-2010144909-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-16 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-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES OAT, OTC, DLD DDR2 4672/4885LCK 1107/4885CSF1R 4045/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT DDR2 3558/4885LCK 290/4885CSF1R 2669/4885

“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.