SCHEMBL7623116

SCHEMBL7623116

N=C(N)N/N=C/c1c[nH]c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
GAA P10253 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
RAB9A P51151 5/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TUBB4A P04350 1/20 0.63
TUBB P07437 1/20 0.63
TUBA3C P0DPH7 1/20 0.63
TUBA1B P68363 1/20 0.63
TUBA4A P68366 1/20 0.63
TUBB4B P68371 1/20 0.63
TUBB3 Q13509 1/20 0.63
TUBB2A Q13885 1/20 0.63
TUBB8 Q3ZCM7 1/20 0.63
TUBA3E Q6PEY2 1/20 0.63
TUBA1A Q71U36 1/20 0.63
TUBA1C Q9BQE3 1/20 0.63
TUBB6 Q9BUF5 1/20 0.63

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
SCHEMBL7623120 1.00 MAPT (0.74) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL6026757 0.88 MAPT (0.69) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL6026750 0.88 MAPT (0.69) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL4332218 0.85 MAPT (1.00) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL4332222 0.85 MAPT (1.00) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL8257172 0.85 MAPT (0.74) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL7326815 0.83 MAPT (0.53) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL4698346 0.81 MAPT (0.60) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL4698350 0.81 MAPT (0.67) MAPTGAACYP1A2CYP3A4RAB9A
SCHEMBL9668293 0.81 RAB9A (0.77) MAPTGAACYP1A2CYP3A4RAB9A

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
US-6444706-B2 ANTIINFLAMMATORY AGENTS; MICROBIOCIDES; ANTITUMOR AGENTS; VIRICIDES CANCER RESEARCH VENTURES LIMITED (GB) 2002-09-03 US disclosed
US-20010023251-A1 Guanidine derivatives, processes for preparing them and their use as pharmaceutical compositions BIOSPHINGS AG (DE) 2001-09-20 US disclosed
US-6284798-B1 ALKYLAMINOGUANDINES CANCER RESEARCH VENTURES LIMITED (GB) 2001-09-04 US disclosed
EP-0918750-A1 NEW GUANIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS Amtmann, Eberhard (DE) 1999-06-02 EP disclosed
WO-1997045401-A1 NEW GUANIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM KG (DE) 1997-12-04 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-20010023251-A1 Guanidine derivatives, processes for preparing them and their use as pharmaceutical compositions GMPS, GANC, GUCY1A2 MAPT 2093/4885GAA 70/4885CYP1A2 58/4885

“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.