SCHEMBL6829553

SCHEMBL6829553

Fc1cc(CNc2nc(Nc3ccc4[nH]cc(C5=CCNCC5)c4c3)ncc2Br)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 2/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ JAK2 O60674 2/20 0.38
▸ CLK1 P49759 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ CAMK2B Q13554 1/20 0.38
▸ CAMK2G Q13555 1/20 0.38
▸ CAMK2D Q13557 1/20 0.38
▸ BRSK1 Q8TDC3 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ MAP4K5 Q9Y4K4 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ CDK1 P06493 1/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ TYRO3 Q06418 3/20 0.37

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
SCHEMBL6210924 0.91 JAK2 (0.40) JAK2PRKD3MARK3PRKCIPRKCD
SCHEMBL6239654 0.89 CDK1 (0.44) CDK9CCNT1JAK2CLK1DYRK1A
SCHEMBL6212597 0.88 NTRK1 (0.49) CDK9CCNT1NTRK1
SCHEMBL6212354 0.87 JAK2 (0.38) CDK9CCNT1JAK2PRKD3MARK3
Trifluoroacetic Acid SCHEMBL6279604 0.87 PTK2 (0.40) JAK2PRKD3MARK3PRKCIPRKCD
SCHEMBL6215499 0.86 HTR6 (0.39) CDK9CCNT1JAK2PRKD3MARK3
SCHEMBL6212141 0.86 KDM4E (0.43) CDK9NTRK1CDK1HTR6KDM4E
SCHEMBL6210939 0.85 HTR2C (0.42) JAK2PRKD3MARK3PRKCIPRKCD
SCHEMBL6236216 0.85 STK17B (0.42) JAK2PRKD3MARK3PRKCIPRKCD
Trifluoroacetic Acid SCHEMBL6236987 0.84 NTRK1 (0.41) CDK9JAK2PRKD3MARK3PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 — — US claimed
US-20040220177-A1 Compound for the treatment of abnormal cell growth PFIZER INC 2004-11-04 — — 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-20040220177-A1 Compound for the treatment of abnormal cell growth CCNA1, CCNB1, CCNT1 CDK9 282/4885CCNT1 3/4885JAK2 1488/4885

“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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