SCHEMBL698793

SCHEMBL698793

CCn1ccnc1C(C)c1cccc(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ADRA2C P18825 5/20 0.40
ADRA2A P08913 4/20 0.40
ADRA2B P18089 4/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
KCNH2 Q12809 3/20 0.40
ADRA1D P25100 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A2 P23975 1/20 0.39
HTR7 P34969 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL698574 1.00 KMT2A (0.50) KMT2AMAPTALDH1A1ADRA2CADRA2A
SCHEMBL698832 0.86 TDP1 (0.44) KMT2AMAPTALDH1A1ADRA2CADRA2A
SCHEMBL697766 0.86 ALDH1A1 (0.41) KMT2AMAPTALDH1A1ADRA2CADRA2A
SCHEMBL697013 0.85 KMT2A (0.38) KMT2AMAPTALDH1A1ADRA2CADRA2A
SCHEMBL697585 0.85 ADRA2C (0.53) KMT2AALDH1A1ADRA2CTSHRTDP1
SCHEMBL695900 0.85 TDP1 (0.54) KMT2AADRA2CKCNH2CYP1A2CYP2D6
SCHEMBL696289 0.85 TDP1 (0.54) KMT2AADRA2CKCNH2CYP1A2CYP2D6
SCHEMBL698465 0.84 ADRA2C (0.44) KMT2AMAPTALDH1A1ADRA2CADRA2A
SCHEMBL696014 0.84 TDP1 (0.41) KMT2AMAPTALDH1A1KCNH2TDP1
SCHEMBL703605 0.84 TDP1 (0.41) KMT2AMAPTALDH1A1KCNH2TDP1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP claimed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP claimed
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO claimed
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 US claimed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US claimed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US claimed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US claimed
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP claimed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US claimed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US claimed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO claimed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US claimed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (5 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MAPT 316/4885ALDH1A1 617/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MAPT 316/4885ALDH1A1 617/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MAPT 316/4885ALDH1A1 617/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885MAPT 316/4885ALDH1A1 617/4885
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS ING2, IGFBP2, IGFBP1 KMT2A 899/4885MAPT 4604/4885ALDH1A1 2795/4885

“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.