SCHEMBL5773750

SCHEMBL5773750

Cc1cccc2c(-c3nc(C(=O)N4CCC(N(C)C)C4)c(-c4ccc(Cl)nc4)s3)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 11/20 0.41
MAP4K4 O95819 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
MALT1 Q9UDY8 1/20 0.35
VNN1 O95497 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
MCHR1 Q99705 1/20 0.34

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
SCHEMBL5771644 0.92 ATR (0.42) ATRMAP4K4JAK2HRH3CDK4
SCHEMBL5773738 0.92 ATR (0.42) ATRMAP4K4JAK2HRH3CDK4
SCHEMBL5772865 0.90 ADORA2B (0.38)
SCHEMBL5774263 0.90 ATR (0.40) ATRMAP4K4CDK4CCND1MCHR1
SCHEMBL5769639 0.89 ATR (0.43) ATRMAP4K4JAK2JAK1TYK2
SCHEMBL5811219 0.88 ATR (0.40) ATRMAP4K4JAK2JAK1TYK2
SCHEMBL5772822 0.88 KDM5A (0.39) ATRMAP4K4JAK2JAK1TYK2
SCHEMBL5768174 0.88 KDM5A (0.39) ATRMAP4K4JAK2JAK1TYK2
SCHEMBL5769265 0.84 JAK2 (0.48) ATRJAK2JAK1TYK2JAK3
SCHEMBL5873060 0.83 DYRK1A (0.40) ATRCDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 US disclosed
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP 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 (3 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ATR 919/4885MAP4K4 2320/4885JAK2 4304/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ATR 919/4885MAP4K4 2320/4885JAK2 4304/4885
US-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 ATR 4491/4885MAP4K4 3420/4885JAK2 342/4885

“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.