SCHEMBL3756943

SCHEMBL3756943

CCn1cc(C(=O)C=CN(C)C)c(I)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
MAPT P10636 7/20 0.38
ALDH1A1 P00352 6/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 3/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
RECQL P46063 2/20 0.37
LMNA P02545 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 2/20 0.36
ALOX12 P18054 1/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
NAMPT P43490 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
SCHEMBL3756939 1.00 HTT (0.39) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL8231748 0.84 HTT (0.41) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL8231746 0.84 HTT (0.41) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL3757901 0.80 MAPT (0.33) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL3757896 0.80 MAPT (0.33) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL8233451 0.77 MAPT (0.39) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL8233450 0.77 MAPT (0.39) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL27854857 0.73 ALDH1A1 (0.38) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL3752495 0.70 TSHR (0.44) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL12996182 0.67 HTT (0.42) HTTMAPTALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49556-E1 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-06-20 US claimed
US-8501758-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-08-06 US claimed
EP-2470526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-07-04 EP claimed
US-20110306625-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-15 US claimed
WO-2011025927-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-03-03 WO claimed
US-RE49556-E1 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-06-20 US disclosed
US-20230116233-A1 Compounds And Compositions As Protein Kinase Inhibitors ARRAY BIOPHARMA INC (US) 2023-04-13 US disclosed
US-20200323852-A1 Compounds And Compositions As Protein Kinase Inhibitors IRM LLC (BM) 2020-10-15 US disclosed
US-10576080-B2 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-03-03 US disclosed
US-10568884-B2 Compounds and compositions as protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-02-25 US disclosed
US-20180297986-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2018-10-18 US disclosed
US-20180297985-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2018-10-18 US disclosed
US-20130296318-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2013-11-07 US disclosed
US-8536180-B2 Pyrimidine inhibitors of kinase activity ABBVIE INC. (US) 2013-09-17 US disclosed
US-8501758-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-08-06 US disclosed
EP-2470526-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2012-07-04 EP disclosed
US-20110306625-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-15 US disclosed
WO-2011025927-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-03-03 WO disclosed
WO-2010138575-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 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 (9 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-20200323852-A1 Compounds And Compositions As Protein Kinase Inhibitors BRAF, RAF1, ARAF HTT 2739/4885MAPT 1828/4885ALDH1A1 4023/4885
US-20110306625-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF HTT 2739/4885MAPT 1828/4885ALDH1A1 4023/4885
US-20130296318-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF HTT 2739/4885MAPT 1828/4885ALDH1A1 4023/4885
US-20100305118-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY IGF1R, TK1, CDK2 HTT 3467/4885MAPT 2822/4885ALDH1A1 982/4885
US-10568884-B2 Compounds and compositions as protein kinase inhibitors BRAF, RAF1, ARAF HTT 2739/4885MAPT 1828/4885ALDH1A1 4023/4885
US-20180297985-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF HTT 2739/4885MAPT 1828/4885ALDH1A1 4023/4885
US-20230116233-A1 Compounds And Compositions As Protein Kinase Inhibitors BRAF, RAF1, ARAF HTT 2739/4885MAPT 1828/4885ALDH1A1 4023/4885
US-20180297986-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF HTT 2739/4885MAPT 1828/4885ALDH1A1 4023/4885
US-10576080-B2 Compounds and compositions as protein kinase inhibitors BRAF, RAF1, ARAF HTT 2739/4885MAPT 1828/4885ALDH1A1 4023/4885

“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.