SCHEMBL3727607

SCHEMBL3727607

COC(=O)c1ccc(Cl)c2nc(Nc3ccc(Br)cc3Cl)n(CCCO)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.40
SMC2 O95347 1/20 0.40
EGFR P00533 1/20 0.40
CSNK2A2 P19784 1/20 0.40
MAP2K2 P36507 1/20 0.40
SMC1A Q14683 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
ALDH1A1 P00352 3/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
P2RX7 Q99572 1/20 0.34
PTGER4 P35408 2/20 0.34
APOBEC3A P31941 2/20 0.34
APOBEC3G Q9HC16 2/20 0.34
GAA P10253 2/20 0.34
RGS12 O14924 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
P2RX3 P56373 2/20 0.33

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
SCHEMBL3726144 0.91 P2RX7 (0.38) P2RX7P2RX3TLR7
SCHEMBL3748268 0.86 MTNR1A (0.35) P2RX7TLR7L3MBTL1
SCHEMBL3723545 0.83 CRHR1 (0.41) P2RX3TLR7
SCHEMBL3722184 0.83 P2RX7 (0.39) ALDH1A1P2RX7HTTP2RX3HPGD
SCHEMBL3752719 0.82 CRHR1 (0.37) ALDH1A1P2RX7P2RX3HPGDTLR7
SCHEMBL3730729 0.82 MRGPRX4 (0.39) ALDH1A1LMNAHTTP2RX3
SCHEMBL3723407 0.81 CRHR1 (0.37) PTGER4P2RX3TLR7
SCHEMBL3728088 0.81 ALDH1A1 (0.33) ALDH1A1LMNAHTTP2RX3HPGD
SCHEMBL3721895 0.80 P2RX3 (0.34) ALDH1A1HTTP2RX3HPGD
SCHEMBL3726272 0.80 P2RX3 (0.37) P2RX7PTGER4P2RX3L3MBTL1

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
US-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 US disclosed
EP-2240485-B1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL (JP) 2014-10-15 EP disclosed
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 US disclosed
EP-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 MAP2K1 1847/4885SMC2 3852/4885EGFR 930/4885
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 MAP2K1 1253/4885SMC2 3935/4885EGFR 670/4885

“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.