SCHEMBL12426565

SCHEMBL12426565

CCN1CCN(Cc2cc(C)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.48
CYP2D6 P10635 4/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 3/20 0.47
USP2 O75604 4/20 0.46
CASP1 P29466 1/20 0.46
CASP5 P51878 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.44
CSF1R P07333 1/20 0.42
HPGD P15428 1/20 0.42
PHGDH O43175 1/20 0.41

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
SCHEMBL19625264 0.90 CYP2D6 (0.55) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL428016 0.88 CHKA (0.52) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL10104420 0.87 ALDH1A1 (0.58) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
SCHEMBL24565989 0.87 ALDH1A1 (0.54) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
SCHEMBL13960087 0.86 ALDH1A1 (0.60) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
SCHEMBL24362682 0.86 TSHR (0.51) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL16731644 0.84 CXCR3 (0.48) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL24815470 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTCYP2D6CYP3A4
SCHEMBL24362674 0.84 CYP2D6 (0.49) ALDH1A1KDM4ECYP2D6CYP3A4TSHR
SCHEMBL21951132 0.83 HIF1A (0.56) ALDH1A1KDM4EMAPTCYP2D6CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2023-11-09 US disclosed
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2023-11-09 US disclosed
US-11655239-B2 Fused ring pyrimidine amino compound and preparation method, pharmaceutical composition, and use thereof Shanghai Institute of Material Medica, Chinese Academy of Sciences (CN) 2023-05-23 US disclosed
EP-4001267-A1 FUSED RING PYRIMIDINE AMINO COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION, AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2022-05-25 EP disclosed
US-9540348-B2 Imidazole-1-yl pyrimidine derivatives, or pharmacutically acceptable salt thereof, and pharmaceutic composition comprising the same as an active ingredient INDUSTRYUNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2017-01-10 US disclosed
US-9540348-B2 Imidazole-1-yl pyrimidine derivatives, or pharmacutically acceptable salt thereof, and pharmaceutic composition comprising the same as an active ingredient INDUSTRYUNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2017-01-10 US disclosed
US-7977338-B2 Phenylacetamides being FLT3 inhibitors NOVARTIS AG (CH) 2011-07-12 US disclosed
US-20100075980-A1 Phenylacetamides being FLT3 Inhibitors NOVARTIS AG (CH) 2010-03-25 US disclosed
WO-2008046802-A1 PHENYLACETAMIDES USEFUL AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-24 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 (3 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-20100075980-A1 Phenylacetamides being FLT3 Inhibitors FLT3, JAK2, ABL1 ALDH1A1 3221/4885KDM4E 1104/4885MAPT 3474/4885
US-11655239-B2 Fused ring pyrimidine amino compound and preparation method, pharmaceutical composition, and use thereof DDR2, DDR1, DOCK2 ALDH1A1 3898/4885KDM4E 2368/4885MAPT 2707/4885
US-20230357164-A1 NOVEL QUINAZOLINE DERIVATIVE HAVING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF FLT3, ABL1, MCL1 ALDH1A1 3264/4885KDM4E 1481/4885MAPT 4493/4885

“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.