SCHEMBL19501422

SCHEMBL19501422

CCN1CCN(Cc2ccc(NC(=N)N)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CCND1 P24385 6/20 0.43
CDK4 P11802 5/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
CDK6 Q00534 5/20 0.43
DYRK2 Q92630 1/20 0.42
CCND3 P30281 1/20 0.42
WNT3A P56704 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
Nitric Acid SCHEMBL19468605 0.92 FGFR3 (0.42) FGFR3ALDH1A1CCND1CDK4RAB9A
SCHEMBL22544380 0.86 FGFR3 (0.44) FGFR3ALDH1A1CCND1CDK4RAB9A
SCHEMBL29557854 0.83 WNT3A (0.52) CCND1CDK4RAB9ANPC1CDK6
SCHEMBL20037430 0.80 ALDH1A1 (0.51) ALDH1A1CCND1CDK4RAB9ANPC1
SCHEMBL1126359 0.77 NAMPT (0.50) FGFR3ALDH1A1RAB9ANPC1TP53
SCHEMBL28390145 0.76 ALDH1A1 (0.53) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL3314013 0.75 KMT2A (0.50) ALDH1A1RAB9ANPC1TP53POLB
Trifluoroacetic Acid SCHEMBL18453950 0.74 WNT3A (0.49) CCND1CDK4RAB9ANPC1WNT3A
SCHEMBL1126048 0.74 ALDH1A1 (0.54) ALDH1A1RAB9ANPC1TP53POLB
SCHEMBL2233359 0.74 ALDH1A1 (0.54) ALDH1A1CCND1CDK4RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307517-A Preparation method of arbeli and intermediate thereof 北京海美源医药科技有限公司 2024-07-09 CN disclosed
US-9969718-B2 Preparation method for Bemaciclb SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2018-05-15 US disclosed
WO-2018045957-A1 CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 江苏豪森药业集团有限公司 2018-03-15 WO disclosed
US-20170305884-A1 PREPARATION METHOD FOR BEMACICLB SUZHOU MIRACPHARMA TECHNOLOGY CO., LTD. (CN) 2017-10-26 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 (1 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-20170305884-A1 PREPARATION METHOD FOR BEMACICLB GMPS, GUCY1B2, NUP188 FGFR3 527/4885ALDH1A1 2819/4885CCND1 1292/4885

“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.