SCHEMBL2035552

SCHEMBL2035552

Cc1ccc(OCC2CCCO2)c(N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.46
NPC1 O15118 4/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
BRD4 O60885 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL1341685 0.89 RAB9A (0.48) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL12180345 0.87 RAB9A (0.62) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL10549228 0.86 ALDH1A1 (0.45) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL1342419 0.85 RAB9A (0.45) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL12180342 0.83 PDE10A (0.51) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL8488392 0.82 ALDH1A1 (0.42) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL29953399 0.81 RAB9A (0.50) RAB9AMAPTSMN1; SMN2TSHRNPC1
Hydrochloric Acid SCHEMBL8489162 0.81 ALDH1A1 (0.44) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL12180343 0.80 TSHR (0.54) RAB9AMAPTSMN1; SMN2TSHRNPC1
SCHEMBL10188107 0.79 RAB9A (0.52) RAB9AMAPTSMN1; SMN2TSHRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379510-B1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHEMOSENSITIZERS ICOS CORP (US) 2011-06-01 EP disclosed
US-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 KEEGAN KATHLEEN S 2010-04-29 US disclosed
US-7067506-B2 Compounds useful for inhibiting Chk1 ICOS CORPORATION (US) 2006-06-27 US disclosed
EP-1379510-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2004-01-14 EP disclosed
US-20030069284-A1 Compounds useful for inhibiting Chk1 ICOS CORPORATION (A WASHINGTON CORPORATION) 2003-04-10 US disclosed
WO-2002070494-A1 ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS ICOS CORPORATION (US) 2002-09-12 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-20100105683-A1 COMPOUNDS USEFUL FOR INHIBITING CHK1 CHEK1, PCNA, CHEK2 RAB9A 2377/4885MAPT 3233/4885SMN1; SMN2 2435/4885
US-20030069284-A1 Compounds useful for inhibiting Chk1 CHEK1, PCNA, CHEK2 RAB9A 2377/4885MAPT 3233/4885SMN1; SMN2 2435/4885

“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.