SCHEMBL4639433

SCHEMBL4639433

N#Cc1ncn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4637952 0.83 CDK1 (0.35) SMN1; SMN2CYP3A4QPCTALDH1A1MEN1
SCHEMBL3130833 0.75 ADORA2A (0.47) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL4639418 0.74 GRIN2B (0.40) SMN1; SMN2CYP3A4KDM4E
SCHEMBL4638004 0.74 ALDH1A1 (0.42) SMN1; SMN2LMNACYP3A4ALDH1A1MEN1
SCHEMBL11484298 0.72 ROCK2 (0.44) SMN1; SMN2LMNAALDH1A1L3MBTL1ROCK2
SCHEMBL6611707 0.72 PKM (0.47) BACE1KDM4EPKM
SCHEMBL15432504 0.71 CYP11B1 (0.43) SMN1; SMN2LMNAQPCTQPCTLMEN1
SCHEMBL11485624 0.70 QPCT (0.39) SMN1; SMN2QPCTQPCTLALDH1A1L3MBTL1
SCHEMBL14944585 0.69 CYP11B1 (0.40) GABRA1GABRA5LMNACYP19A1L3MBTL1
SCHEMBL4055988 0.69 ADORA2A (0.41) QPCTALDH1A1ROCK2KDM4EPKM

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 SMN1; SMN2 2813/4885GABRP 690/4885GABRD 1005/4885

“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.