SCHEMBL638586

SCHEMBL638586

[NH]Cc1ccc(Cl)c(N)c1N

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.32
TSHR P16473 3/20 0.32
CYP3A4 P08684 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31
PNMT P11086 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL775115 0.79 PNMT (0.46) IDO1TSHRNPC1LMNAHTT
SCHEMBL638587 0.78 PNMT (0.46) IDO1TSHRCYP3A4TP53PNMT
SCHEMBL2359630 0.76 TSHR (0.47) TSHRCYP3A4LMNASMN1; SMN2TP53
SCHEMBL2095373 0.70 CYP3A4 (0.40) IDO1CYP3A4NPC1LMNAHTT
SCHEMBL11242602 0.68 CYP3A4 (0.36) IDO1TSHRCYP3A4HTTSMN1; SMN2
SCHEMBL31568962 0.67 CYP3A4 (0.48) TSHRCYP3A4LMNATP53ALDH1A1
SCHEMBL345826 0.67 CYP3A4 (0.48) TSHRCYP3A4LMNATP53ALDH1A1
SCHEMBL671453 0.67 PNMT (0.54) IDO1TSHRCYP3A4PNMTALDH1A1
SCHEMBL2910000 0.67 DPP4 (0.37) TSHRCYP3A4NPC1LMNAHTT
SCHEMBL27659190 0.66 NOS2 (0.35) HTTSMN1; SMN2

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
US-8119614-B2 Substitution derivatives of N6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2012-02-21 US disclosed
EP-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 EP disclosed
US-7745450-B2 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy INSTITUTE OF EXPERIMENTAL BOTANY (CZ) 2010-06-29 US disclosed
US-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds USTAV EXPERIMENTALNI BOTANIKY AKADEMIE VED CESKE REPUBLIKY (CZ) 2006-07-27 US disclosed
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 US disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 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 (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-20060166925-A1 Substitution derivatives of n6-benzyladenosine, methods of their preparation, their use for preparation of drugs, cosmetic preparations and growth regulators, pharmaceutical preparations, cosmetic preparations and growth regulators containing these compounds ADAR, ADORA2A, AMPD2 IDO1 222/4885TSHR 1506/4885CYP3A4 3917/4885
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 IDO1 2607/4885TSHR 51/4885CYP3A4 750/4885

“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.