SCHEMBL22280208

SCHEMBL22280208

CC(C)Oc1nc(Cl)nc2[nH]cc(C#N)c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 1/20 0.47
TAB1 Q15750 1/20 0.47
CHUK O15111 8/20 0.47
LRRK2 Q5S007 5/20 0.41
HSP90AB1 P08238 2/20 0.40
HSP90AA1 P07900 1/20 0.40
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
CDC42BPA Q5VT25 2/20 0.39
CDC42BPB Q9Y5S2 2/20 0.39
LMNA P02545 1/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
IKBKB O14920 1/20 0.35

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
SCHEMBL18383137 0.81 MAP3K7 (0.47) MAP3K7TAB1CHUKLRRK2HSP90AB1
SCHEMBL22280088 0.81 CHUK (0.47) MAP3K7TAB1CHUKLRRK2HSP90AB1
SCHEMBL31095312 0.76 CHUK (0.71) CHUKLRRK2HSP90AB1HSP90AA1ROCK2
SCHEMBL19010829 0.76 CHUK (0.71) CHUKLRRK2HSP90AB1HSP90AA1ROCK2
SCHEMBL24136246 0.74 CHUK (0.68) CHUKLRRK2HSP90AB1HSP90AA1ROCK2
SCHEMBL19010828 0.73 CHUK (0.43) MAP3K7TAB1CHUKLRRK2HSP90AB1
SCHEMBL22280368 0.71 CHUK (0.51) CHUKLRRK2HSP90AB1HSP90AA1ROCK2
SCHEMBL22280371 0.70 CNR1 (0.44) CHUKLRRK2ROCK2ROCK1CDC42BPB
SCHEMBL5723781 0.70 PIN1 (0.55) LMNACNR1CNR2
SCHEMBL22280369 0.69 CHUK (0.54) CHUKLRRK2HSP90AB1HSP90AA1ROCK2

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-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-12-28 US disclosed
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2020-07-30 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 (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-11208412-B2 Pyrrolo-pyrimidine derivative compound, preparation method therefor, and pharmaceutical composition comprising same compound as effective ingredient for preventing or treating protein kinase-related disease LRRK2, WEE1, WEE2 MAP3K7 153/4885TAB1 527/4885CHUK 653/4885
US-20200239474-A1 PYRROLO-PYRIMIDINE DERIVATIVE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME COMPOUND AS EFFECTIVE INGREDIENT FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE LRRK2, WEE1, WEE2 MAP3K7 153/4885TAB1 527/4885CHUK 653/4885

“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.