SCHEMBL1601864

SCHEMBL1601864

Clc1cc(OCCN2CCOCC2)nc(-c2ccncc2)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.50
FLT3 P36888 2/20 0.50
ESR1 P03372 1/20 0.50
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SIGMAR1 Q99720 6/20 0.46
MTOR P42345 1/20 0.46
TSHR P16473 1/20 0.45
KMO O15229 2/20 0.45
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL3105981 0.77 KMT2A (0.49) KDM4EALDH1A1SIGMAR1TSHRKCNH2
Hydrochloric Acid SCHEMBL9013588 0.74 NPC1 (0.55) NPC1
SCHEMBL3716249 0.74 SMN1; SMN2 (0.47) KDM4EALDH1A1SIGMAR1TSHRKCNH2
SCHEMBL3205812 0.73 KDM4E (0.52) KDM4EALDH1A1SIGMAR1TSHRKMO
SCHEMBL1602724 0.72 PIKFYVE (0.55) KITFLT3ROCK2ROCK1KDM4E
Hydrochloric Acid SCHEMBL9013522 0.72 ESR1 (0.53) ESR1
SCHEMBL30986449 0.71 KDM4E (0.56) KDM4EALDH1A1SIGMAR1TSHRKCNH2
SCHEMBL11929837 0.70 NPC1 (0.52) KDM4EALDH1A1SIGMAR1TSHRKCNH2
SCHEMBL15260226 0.70 KDM4E (0.66) KDM4EALDH1A1TSHRNPC1
SCHEMBL247423 0.69 KIT (0.45) KITFLT3SIGMAR1

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-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US disclosed
WO-2006053109-A1 HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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 (1 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-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 KIT 376/4885FLT3 332/4885ESR1 3146/4885

“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.