SCHEMBL2238253

SCHEMBL2238253

O=C1CCc2cc(C(F)(F)F)ccc2N1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.77
PKM P14618 1/20 0.59
PKLR P30613 1/20 0.59
TDP2 O95551 1/20 0.53
NPC1 O15118 1/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52

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
SCHEMBL9024780 0.92 KIF11 (0.67) KIF11PKMPKLRTDP2
SCHEMBL1396616 0.87 KIF11 (1.00) KIF11PKMPKLRTDP2NPC1
SCHEMBL31492431 0.86 TDP2 (0.66) KIF11TDP2
SCHEMBL30806264 0.86 KIF11 (0.62) KIF11PKMPKLRTDP2NPC1
SCHEMBL578303 0.86 TDP2 (0.66) KIF11TDP2
SCHEMBL3315694 0.85 KIF11 (0.79) KIF11PKMPKLR
SCHEMBL16208473 0.83 KIF11 (0.68) KIF11PKMPKLRNPC1MAPK13
SCHEMBL16208488 0.83 KIF11 (1.00) KIF11PKMPKLR
SCHEMBL14868062 0.83 KIF11 (0.71) KIF11PKMPKLRTDP2
SCHEMBL761117 0.82 KIF11 (0.68) KIF11PKMNPC1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112262145-B 2-aminopyrimidine derivative and preparation method and application thereof 上海奕拓医药科技有限责任公司 2023-08-01 CN disclosed
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2021-08-19 US disclosed
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2021-08-19 US disclosed
EP-3786166-A1 2-AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2021-03-03 EP disclosed
EP-3786166-A1 2-AMINOPYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2021-03-03 EP disclosed
CN-112262145-A 2-aminopyrimidine derivatives, preparation method and application thereof 上海奕拓医药科技有限责任公司 2021-01-22 CN disclosed
US-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-01 US disclosed
EP-2361910-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY Taisho Pharmaceutical Co., Ltd. (JP) 2011-08-31 EP 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 (2 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-20110213143-A1 COMPOUND HAVING TAFIA INHIBITORY ACTIVITY TAF1, TAF5, TAF11 KIF11 4379/4885PKM 3697/4885PKLR 3795/4885
US-20210253595-A1 2-Aminopyrimidine Derivative and Preparation Method and Use Thereof IDH1, IDH2, IDH3B KIF11 3797/4885PKM 1341/4885PKLR 1546/4885

“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.