SCHEMBL3828644

SCHEMBL3828644

N[C@H](c1ccc(Cl)nc1)[C@@H](N)c1ccc(Cl)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
NAPRT Q6XQN6 1/20 0.39
POLB P06746 1/20 0.38
CYP2A6 P11509 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.35
DPP4 P27487 2/20 0.35
ADRB2 P07550 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
SCHEMBL13567642 1.00 PIK3CD (0.43) PIK3CDADRA2AADRA2BADRA2CCYP3A4
SCHEMBL9046864 0.87 SMN1; SMN2 (0.40) PIK3CDADRA2AADRA2BADRA2CCYP3A4
SCHEMBL4165718 0.86 PIK3CD (0.43) PIK3CDADRA2AADRA2BADRA2CCYP3A4
SCHEMBL31086606 0.82 ADRB2 (0.52) PIK3CDADRA2AADRA2BADRA2CCYP3A4
SCHEMBL19943572 0.82 CYP3A4 (0.45) PIK3CDADRA2AADRA2BADRA2CCYP3A4
SCHEMBL31247543 0.82 ADRB2 (0.52) PIK3CDADRA2AADRA2BADRA2CCYP3A4
SCHEMBL14211414 0.82 ADRB2 (0.52) PIK3CDADRA2AADRA2BADRA2CCYP3A4
SCHEMBL594241 0.82 ADRB2 (0.52) PIK3CDADRA2AADRA2BADRA2CCYP3A4
SCHEMBL4092765 0.82 ADRB2 (0.52) PIK3CDADRA2AADRA2BADRA2CCYP3A4
Hydrochloric Acid SCHEMBL14121259 0.80 ADRB2 (0.50) PIK3CDADRA2AADRA2BADRA2CCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 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 (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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 PIK3CD 3385/4885ADRA2A 3954/4885ADRA2B 4017/4885

“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.