SCHEMBL4246373

SCHEMBL4246373

N=C(N)Nc1ccc(N2CCNCC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 4/20 0.53
▸ CHRNA4 P43681 4/20 0.53
▸ CDK4 P11802 8/20 0.51
▸ CCND1 P24385 7/20 0.51
▸ ABL1 P00519 1/20 0.45
▸ AOC3 Q16853 1/20 0.44
▸ CCNA2 P20248 5/20 0.43
▸ CDK2 P24941 5/20 0.43
▸ CDK1 P06493 3/20 0.43
▸ CCNB1 P14635 3/20 0.43
▸ CCNA1 P78396 3/20 0.43
▸ CCND3 P30281 3/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ FGFR4 P22455 1/20 0.42
▸ FGFR3 P22607 1/20 0.42

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
Hydrochloric Acid SCHEMBL4244130 0.99 CHRNB2 (0.51) CHRNB2CHRNA4CDK4CCND1ABL1
SCHEMBL28562923 0.95 CHRNB2 (0.57) CHRNB2CHRNA4CDK4CCND1CCNA2
Trifluoroacetic Acid SCHEMBL29544383 0.89 AOC3 (0.44) CHRNB2CHRNA4CDK4CCND1ABL1
Trifluoroacetic Acid SCHEMBL28705254 0.89 AOC3 (0.44) CHRNB2CHRNA4CDK4CCND1ABL1
Trifluoroacetic Acid SCHEMBL18453319 0.89 AOC3 (0.44) CHRNB2CHRNA4CDK4CCND1ABL1
Trifluoroacetic Acid SCHEMBL18453329 0.85 CHRNB2 (0.47) CHRNB2CHRNA4CDK4CCND1AOC3
SCHEMBL18453953 0.85 MAPT (0.44) CHRNB2CHRNA4CDK4CCND1ABL1
SCHEMBL24483273 0.85 CHRNB2 (0.49) CHRNB2CHRNA4CDK4CCND1ABL1
SCHEMBL28717895 0.82 POLB (0.47) CDK4CCND1CCNA2CDK2CCND3
SCHEMBL28937063 0.82 FLT3 (0.47) CDK4CCND1ABL1CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850244-B2 Method for preparing Palbociclib SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-12-26 — — US claimed
US-20170247379-A1 METHOD FOR PREPARING PALBOCICLIB SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-08-31 — — US claimed
CN-114269742-B Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amine as therapeutic agents 常州千红生化制药股份有限公司 2024-07-16 — — CN disclosed
CN-114269742-A Derivatives of 4- (imidazo [1,2-a ] pyridin-3-yl) -N- (pyridinyl) pyrimidin-2-amines as therapeutic agents 常州千红生化制药股份有限公司 2022-04-01 — — CN disclosed
US-20200283431-A1 N-(PYRIDIN-2-YL)-4-(THIAZOL-5-YL)PYRIMIDIN-2-AMINE DERIVATIVES AS THERAPEUTIC COMPOUNDS AUCENTRA THERAPEUTICS PTY LTD (AU) 2020-09-10 — — US disclosed
CN-107936029-B Method for synthesizing Ribociclib 南京奇可药业有限公司 2020-06-30 — — CN disclosed
US-10005726-B2 Ribociclib intermediate and preparation method therefor SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-06-26 — — US disclosed
US-10005726-B2 Ribociclib intermediate and preparation method therefor SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-06-26 — — US disclosed
US-20180093950-A1 RIBOCICLIB INTERMEDIATE AND PREPARATION METHOD THEREFOR SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-04-05 — — US disclosed
US-20180093950-A1 RIBOCICLIB INTERMEDIATE AND PREPARATION METHOD THEREFOR SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-04-05 — — US disclosed
US-9850244-B2 Method for preparing Palbociclib SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-12-26 — — US disclosed
US-9850244-B2 Method for preparing Palbociclib SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-12-26 — — US disclosed
US-20170247379-A1 METHOD FOR PREPARING PALBOCICLIB SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-08-31 — — US disclosed
US-20170247379-A1 METHOD FOR PREPARING PALBOCICLIB SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-08-31 — — US disclosed
CN-105906622-A Preparation method of palbociclib for treating breast cancer 青岛云天生物技术有限公司 2016-08-31 — — CN disclosed
US-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2009-09-17 — — US disclosed
CN-101163694-A Imidaz0l0-5-yl-2-anil0-pyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB ASTRAZENECA UK (SE) 2008-04-16 — — CN disclosed
EP-1869016-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-12-26 — — EP disclosed
WO-2006095159-A1 (IMIDAZOLO-5-YL)-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2006-09-14 — — 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-10005726-B2 Ribociclib intermediate and preparation method therefor WEE1, WEE2, CPSF7 CHRNB2 4337/4885CHRNA4 3884/4885CDK4 53/4885
US-20090233928-A1 IMIDAZOLO-5-YL-2-ANILO-PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION MKI67, TYMP, PCNA CHRNB2 4788/4885CHRNA4 4770/4885CDK4 30/4885
US-20170247379-A1 METHOD FOR PREPARING PALBOCICLIB CHUK, TPMT, ME1 CHRNB2 4662/4885CHRNA4 4108/4885CDK4 6/4885
US-20200283431-A1 N-(PYRIDIN-2-YL)-4-(THIAZOL-5-YL)PYRIMIDIN-2-AMINE DERIVATIVES AS THERAPEUTIC COMPOUNDS CDK4, CDK6, CDKL2 CHRNB2 3507/4885CHRNA4 3087/4885CDK4 1/4885
US-20180093950-A1 RIBOCICLIB INTERMEDIATE AND PREPARATION METHOD THEREFOR WEE1, WEE2, CPSF7 CHRNB2 4337/4885CHRNA4 3884/4885CDK4 53/4885

“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.

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