SCHEMBL4982070

SCHEMBL4982070

Cn1c(NCc2ccccc2)nc2cc(CNc3ccnc(Nc4ccc(CS(N)(=O)=O)cc4)n3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CSF1R P07333 3/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ ULK2 Q8IYT8 1/20 0.45
▸ TBK1 Q9UHD2 1/20 0.45
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ PDE5A O76074 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDR P35968 2/20 0.39
▸ PTK2 Q05397 2/20 0.39

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 SCHEMBL4984040 0.99 PLK4 (0.47) PLK4HRH3CSF1RTYK2ULK2
SCHEMBL4978232 0.92 CSF1R (0.41) PLK4HRH3CSF1RTYK2ULK2
SCHEMBL4977036 0.92 NPC1 (0.46) PLK4HRH3CSF1RTYK2ULK2
SCHEMBL4983915 0.92 NTRK1 (0.46) PLK4HRH3CSF1RTYK2ULK2
Hydrochloric Acid SCHEMBL4981900 0.92 KCNH3 (0.41) PLK4HRH3CSF1RTYK2ULK2
Hydrochloric Acid SCHEMBL4982300 0.92 NPC1 (0.45) PLK4HRH3CSF1RTYK2ULK2
SCHEMBL4980767 0.92 PLK4 (0.46) PLK4HRH3CSF1RTYK2ULK2
Hydrochloric Acid SCHEMBL4980393 0.91 NTRK1 (0.45) PLK4HRH3CSF1RTYK2ULK2
SCHEMBL4980894 0.91 ALDH1A1 (0.47) HRH3CSF1RTYK2ULK2TBK1
Hydrochloric Acid SCHEMBL6621527 0.91 PLK4 (0.45) PLK4HRH3CSF1RTYK2ULK2

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
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 — — US claimed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 — — US claimed
US-7338959-B2 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2008-03-04 — — US disclosed
US-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-10-20 — — 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-20050234083-A1 Diamino-pyrimidines and their use as angiogenesis inhibitors TIE1, TEK, KDR PLK4 1099/4885HRH3 283/4885CSF1R 501/4885

“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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