SCHEMBL3554226

SCHEMBL3554226

CCn1c(C(=O)C=CN(C)C)cnc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MAPT P10636 10/20 0.39
ALDH1A1 P00352 9/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 5/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 4/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 2/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL3554224 1.00 HTT (0.40) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL6590358 0.83 ALDH1A1 (0.37) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL6590360 0.83 ALDH1A1 (0.37) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL6593013 0.82 MAPT (0.36) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL3551267 0.82 MAPT (0.36) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL3551270 0.82 MAPT (0.36) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL6593008 0.82 MAPT (0.36) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL6593940 0.82 MAPT (0.37) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL6593945 0.82 MAPT (0.37) HTTMAPTALDH1A1RAB9ANPC1
SCHEMBL3557023 0.82 MAPT (0.46) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-7465728-B2 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-12-16 US disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
US-20060004033-A1 Imidazolo-5-yl-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation ASTRAZENECA AB 2006-01-05 US disclosed
US-6969714-B2 Imidazolo-5-YL-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation ASTRAZENECA AB (SE) 2005-11-29 US disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
US-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1351958-B1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-06-16 EP disclosed
WO-2002020512-A9 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2004-05-06 WO disclosed
US-20040014776-A1 Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration ASTRAZENECA AB (SE) 2004-01-22 US disclosed
EP-1351958-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION AstraZeneca AB (SE) 2003-10-15 EP disclosed
WO-2002020512-A1 IMIDAZOLO-5-YL-2-ANILINO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF THE CELL PROLIFERATION ASTRAZENECA AB (SE) 2002-03-14 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 (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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 HTT 4754/4885MAPT 4106/4885ALDH1A1 1127/4885
US-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI HTT 3893/4885MAPT 3632/4885ALDH1A1 320/4885
US-20060004033-A1 Imidazolo-5-yl-2-anilino-pyrimidines as agents for the inhibition of the cell proliferation MKI67, CCNI, CCNT1 HTT 4348/4885MAPT 4607/4885ALDH1A1 1177/4885
US-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity CCNI, CDK2, CDK1 HTT 4807/4885MAPT 4492/4885ALDH1A1 1079/4885
US-20040014776-A1 Imidazolo-5-YL-2anilino-pyrimidines as agents for the inhibition of the cell proliffration CCNI, TYMP, MKI67 HTT 4573/4885MAPT 4470/4885ALDH1A1 545/4885

“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.